Benzenesulfonamide, 4-methyl-N-(4-nitrophenyl)-

HCID 69772CAS 734-25-8

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Basic information

Standard SMILES: Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIKey: ACOIHAFYVPPSOZ-UHFFFAOYSA-N
Molecular formula: C13H12N2O4S
Average molar mass: 292.31 g/mol
Monoisotopic mass: 292.05177786

Names & identifiers

Preferred name: Benzenesulfonamide, 4-methyl-N-(4-nitrophenyl)-
IUPAC: 4-methyl-N-(4-nitrophenyl)benzenesulfonamide
English name: 4'-Nitro-p-toluenesulfonanilide
Molecular formula: C13H12N2O4S
Molecular weight: 292.31

Names & synonyms

4-Methyl-N-(4-nitrophenyl)benzenesulfonamideBenzenesulfonamide, 4-methyl-N-(4-nitrophenyl)-p-Toluenesulfonanilide, 4'-nitro-N-(p-Nitrophenyl)-p-toluenesulphonamideEINECS 211-994-2NSC 49573DTXSID2061064RefChem:563783DTXCID9047540211-994-2734-25-84'-Nitro-p-toluenesulfonanilide

Show more names

ZINC03947361AURORA KA-9824-Nitrophenyl toluenesulfonamide4'-Nitro-p-toluenesulfonanilide95+%N-(4-Nitrophenyl)-p-toluenesulfonamide

4-methyl-N-(4-nitrophenyl)benzene-1-sulfonamideMFCD00129916J9ZZ3TP9ZJNSC-49573[(4-methylphenyl)sulfonyl](4-nitrophenyl)amineNSC49573UNII-J9ZZ3TP9ZJSCHEMBL6577363

Database identifiers

CAS: 734-25-8
PubChem CID: 69772
DTXSID: DTXSID2061064
ChEMBL: CHEMBL2272652
UNII: J9ZZ3TP9ZJ
EC Number: 211-994-2
Nikkaji: J193.102D

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 424

Physicochemical properties

Melting point: 191 °C · 191 °C
CAS DataBase Reference: 734 · 734-25-8(CAS DataBase Reference)
FDA UNII: 9 ZZ3TP9ZJ · J9ZZ3TP9ZJ
EPA Substance Registry System: 4 · Benzenesulfonamide, 4-methyl-N-(4-nitrophenyl)- (734-25-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.