4-Amino-N-1H-indazol-6-ylbenzenesulfonamide

HCID 83696

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 13744-68-8
Standard SMILES: Nc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIKey: RLNLIVBLEZDLMZ-UHFFFAOYSA-N
Molecular formula: C13H12N4O2S
Average molar mass: 288.33 g/mol
Monoisotopic mass: 288.06809681

Names & identifiers

Preferred name: 4-Amino-N-1H-indazol-6-ylbenzenesulfonamide
IUPAC: 4-amino-N-(1H-indazol-6-yl)benzenesulfonamide
English name: 6-Sulfanilamidoindazole
Molecular formula: C13H12N4O2S
Molecular weight: 288.33

Names & synonyms

6-Sulfanilamidoindazole13744-68-8Benzenesulfonamide, 4-amino-N-1H-indazol-6-yl-4-Amino-N-1H-indazol-6-ylbenzenesulfonamideNSC-14072143XC2TRN2RDTXSID50160183RefChem:544323DTXCID8082674237-314-44-amino-n-(1h-indazol-6-yl)benzenesulfonamide6-(Sulfanilamido)indazole

Show more names

TIMTEC-BB SBB001179N1-(6-INDAZOLYL)SULFANILAMIDEN'-(1H-Indazol-6-yl)sulfanilamideN(sup 1)-(6-indazolyl)sulfanilamideNY-(6-INDAZOLYL)SULFANILAMIDE M.P. 193-195OCN1-(6-Indazolyl)sulfanilamide

Sulfanilamide, N1-1H-indazol-6-yl-6-(p-Aminobenzenesulfonylamino)indazole4-amino-N-(1H-indazol-6-yl)benzene-1-sulfonamide1H-indazol-6-yl[(4-aminophenyl)sulfonyl]amineEINECS 237-314-4NSC 140721N-(Indazol-6-yl)-4-aminobenzenesulphonamide4-amino-N-(1H-indazol-6-yl)-benzenesulfonamide

Database identifiers

CAS: 13744-68-8
PubChem CID: 83696
DTXSID: DTXSID50160183
UNII: 43XC2TRN2R
EC Number: 237-314-4
Nikkaji: J278.023B

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 109 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 428

Physicochemical properties

Melting point: 193 · 193-195 °C(lit.)
Boiling point: 581.1 · 581.1±56.0 °C(Predicted)
Density: 1.546 · 1.546±0.06 g/cm3(Predicted)
pka: 8.77 · 8.77±0.30(Predicted)
InChI: 1S/C13H12N4O2S/c14-10-2-5-12(6-3-10)20(18,19)17-11-4-1-9-8-15-16-13(9)7-11/h1-8,17H,14H2,(H,15,16)
InChIKey: RLNLIVBLEZDLMZ-UHFFFAOYSA-N
SMILES: Nc1ccc(cc1)S(=O)(=O)Nc2ccc3cn[nH]c3c2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
RTECS: 9510332 · DA9510332
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

wgk: 3
rtecs: DA9510332
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesN1-(6-Indazolyl)sulfanilamide ( 6-Sulfanilamidoindazole) causes inflammation in the hind paws and ankles of older rat and sensitizes them to the lethal action of endotoxin.

General DescriptionN1-(6-Indazolyl)sulfanilamide ( 6-Sulfanilamidoindazole) causes inflammation in the hind paws and ankles of older rat and sensitizes them to the lethal action of endotoxin.