Basic information
- CAS
28547-15-1- Standard SMILES
O=C(O)c1cccc(NS(=O)(=O)c2ccccc2)c1- InChIKey
RELBUFSHELNQKC-UHFFFAOYSA-N- Molecular formula
- C13H11NO4S
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.04087901
Names & identifiers
- Preferred name
- 3-Benzenesulfonamidobenzoic acid
- IUPAC
- 3-(benzenesulfonamido)benzoic acid
- English name
- 3-Benzenesulfonylaminobenzoic acid
- Molecular formula
- C13H11NO4S
- Molecular weight
- 277.3
Names & synonyms
3-[(phenylsulfonyl)amino]benzoic acid3-benzenesulfonamidobenzoic acid3-((Phenylsulfonyl)amino)benzoic acidRefChem:497923673-323-328547-15-13-Benzenesulfonylaminobenzoic acid3-(Phenylsulfonamido)benzoic Acid3-(benzenesulfonamido)benzoic acidBenzoic acid, 3-[(phenylsulfonyl)amino]-MFCD005315243-(benzenesulfonamido)benzoate
Show more names
Benzoic acid,3-[(phenylsulfonyl)amino]-Cambridge id 5286139Oprea1_747467Oprea1_827457SCHEMBL894613CHEMBL4909153-(phenylsulfonyl)aminobenzoic acidALBB-029622
Database identifiers
- CAS
28547-15-1- PubChem CID
- 792201
- ChEMBL
CHEMBL490915- EC Number
- 673-323-3
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Melting point
- 203 · 203-204 °C
- Boiling point
- 492.3 · 492.3±47.0 °C(Predicted)
- Density
- 1.451 · 1.451±0.06 g/cm3(Predicted)
- pka
- 4.04 · 4.04±0.10(Predicted)
- form
- solid
- color
- Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2935909099 · 2935909099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2935909099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses3-Benzenesulfonylaminobenzoic Acid is used as an inhibitor of glycerol 3-phosphate acyltransferase (GPAT).
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
7 records
Compound notes
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