4-bromo-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide

HCID 669304

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 331972-47-5
Standard SMILES: O=S(=O)(Nc1nccs1)c1ccc(Br)cc1
InChIKey: JNVLDSBNISCATL-UHFFFAOYSA-N
Molecular formula: C9H7BrN2O2S2
Average molar mass: 319.2 g/mol
Monoisotopic mass: 317.91323156

Names & identifiers

Preferred name: 4-bromo-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide
IUPAC: 4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide
English name: 4-Bromo-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide
Molecular formula: C9H7BrN2O2S2
Molecular weight: 319.2

Names & synonyms

4-bromo-N-(1,3-thiazol-2-yl)benzene-1-sulfonamideRefChem:520410696-592-9331972-47-54-Bromo-N-(thiazol-2-yl)benzenesulfonamide4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamideMFCD005926464-Bromo-N-thiazol-2-yl-benzenesulfonamideC9H7BrN2O2S2Oprea1_071904Oprea1_307730MLS000706522

Show more names

4-Bromo-N-2-thiazolylbenzenesulfonamideBenzenesulfonamide, 4-bromo-N-2-thiazolyl-4-bromo-N-(thiazol-2-yl)benzene sulfonamide

SCHEMBL184078CHEMBL1885741DTXSID00349961JNVLDSBNISCATL-UHFFFAOYSA-NHMS2648C17STK054285AKOS000592167SS-4400

Database identifiers

CAS: 331972-47-5
PubChem CID: 669304
DTXSID: DTXSID00349961
ChEMBL: CHEMBL1885741
EC Number: 696-592-9

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 95.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 323

Physicochemical properties

Melting point: 215 °C · 215 °C(Solv: acetone (67-64-1))
Boiling point: 449.1 · 449.1±47.0 °C(Predicted)
Density: 1.798 · 1.798±0.06 g/cm3(Predicted)
pka: 6.28 · 6.28±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H332-H312
Precautionary statements: 261 · P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
HS Code: 2934100090 · 2934100090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2934100090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H332-H312
Precautionary statements: P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501