Basic information
- CAS
107143-69-1- Standard SMILES
O=C(O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1- InChIKey
JDVLYAYDIMUAAC-UHFFFAOYSA-N- Molecular formula
- C13H9BrClNO4S
- Average molar mass
- 390.64 g/mol
- Monoisotopic mass
- 388.91242
Names & identifiers
- Preferred name
- 5-Bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid
- IUPAC
- 5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid
Names & synonyms
5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acidWU438K8EAL5-Bromo-2-[[(4-chlorophenyl)sulfonyl]amino]benzoic acid5-BROMO-2-(((4-CHLOROPHENYL)SULFONYL)AMINO)BENZOIC ACID5-bromo-2-(4-chlorobenzenesulfonamido)benzoic acidRefChem:532961107143-69-1sulfonamide compound, 1CBDivE_0049085-bromo-2-(4-chlorophenylsulfonamido)benzoic acid5-Bromo-2-((4-chlorophenyl)sulfonamido)benzoic acid5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid
Show more names
CHEMBL212522SCHEMBL5925257BDBM17595HMS3604C20STL325205AKOS000541754DB07309PD005360
Database identifiers
- CAS
107143-69-1- PubChem CID
- 1069140
- ChEMBL
CHEMBL212522- UNII
- WU438K8EAL
- Nikkaji
- J3.795.247H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 473
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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