Benzoic acid, 4-chloro-2-[[[(2,3-dihydro-1,1-dioxido-3-thienyl)amino]carbonyl]amino]-
Basic information
- CAS
1495679-24-7- Standard SMILES
O=C(Nc1cc(Cl)ccc1C(=O)O)NC1C=CS(=O)(=O)C1- InChIKey
PMHUMRITUJRDBZ-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O5S
- Average molar mass
- 330.74 g/mol
- Monoisotopic mass
- 330.0077203
Names & identifiers
- Preferred name
- Benzoic acid, 4-chloro-2-[[[(2,3-dihydro-1,1-dioxido-3-thienyl)amino]carbonyl]amino]-
- IUPAC
- 4-chloro-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamoylamino]benzoic acid
Names & synonyms
DTXSID601127576AKOS015062397Benzoic acid, 4-chloro-2-[[[(2,3-dihydro-1,1-dioxido-3-thienyl)amino]carbonyl]amino]-1495679-24-74-Chloro-2-{[(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)carbamoyl]amino}benzoic acid
Database identifiers
- CAS
1495679-24-7- PubChem CID
- 65722397
- DTXSID
DTXSID601127576
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 556
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Compound notes
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