Basic information
- CAS
51012-29-4- Standard SMILES
O=C(O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1- InChIKey
RPCZXFGZZGTKIV-UHFFFAOYSA-N- Molecular formula
- C13H10BrNO4S
- Average molar mass
- 356.19 g/mol
- Monoisotopic mass
- 354.95139
Names & identifiers
- Preferred name
- 2-(((4-Bromophenyl)sulfonyl)amino)benzoic acid
- IUPAC
- 2-[(4-bromophenyl)sulfonylamino]benzoic acid
- English name
- 2-(((4-bromophenyl)sulfonyl)amino)-benzoicaci
- Molecular formula
- C13H10BrNO4S
- Molecular weight
- 356.19
Names & synonyms
51012-29-4BENZOIC ACID, 2-(((4-BROMOPHENYL)SULFONYL)AMINO)-2-(((4-Bromophenyl)sulfonyl)amino)benzoic acidDTXSID301990172-{[(4-bromophenyl)sulfonyl]amino}benzoic acidBenzoic acid, 2-[[(4-bromophenyl)sulfonyl]amino]-RefChem:1060432DTXCID601215082-(4-bromobenzenesulfonamido)benzoic acid2-(4-Bromo-benzenesulfonylamino)-benzoic acid2-[(4-bromophenyl)sulfonylamino]benzoic acid2-(4-Bromophenylsulfonamido)benzoic acid
Show more names
2-(((4-bromophenyl)sulfonyl)amino)-benzoicaci
MFCD00583502CHEMBL439922BRN 2390484N-p-Brombenzolsulfonyl-o-aminobenzoesaeureBCA01229BDBM50016577EBC-06792AKOS000114683
Database identifiers
- CAS
51012-29-4- PubChem CID
- 39852
- DTXSID
DTXSID30199017- ChEMBL
CHEMBL439922
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Suppliers2 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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