3-((4-Chloroanilino)sulfonyl)thiophene-2-carboxylic acid
Basic information
- CAS
496051-23-1- Standard SMILES
O=C(O)c1sccc1S(=O)(=O)Nc1ccc(Cl)cc1- InChIKey
YRWKEEDITQJPCZ-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO4S2
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 316.9583278
Overview
an inhibitor of AmpC beta-lactamase; structure in first source
Names & identifiers
- Preferred name
- 3-((4-Chloroanilino)sulfonyl)thiophene-2-carboxylic acid
- IUPAC
- 3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid
Names & synonyms
3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACIDDTXSID203322343-((4-chloroanilino)sulfonyl)thiophene-2-carboxylic acidRefChem:92003DTXCID702833283-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid496051-23-1CHEMBL3722271l2sYPG9JNK4RXOprea1_656636SCHEMBL3917516
Show more names
HMS3604K04WUA05123BDBM50167950EBC-08496AKOS009110195DB08573NCGC00092000-01NCGC00092000-02
Database identifiers
- CAS
496051-23-1- PubChem CID
- 446853
- DTXSID
DTXSID20332234- ChEMBL
CHEMBL372227- UNII
- YPG9JNK4RX
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 428
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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