4-(Pentylsulfonylamino)benzoic acid
Basic information
- CAS
6966-41-2- Standard SMILES
CCCCCS(=O)(=O)Nc1ccc(C(=O)O)cc1- InChIKey
QDMLTJRBUROWBY-UHFFFAOYSA-N- Molecular formula
- C12H17NO4S
- Average molar mass
- 271.33 g/mol
- Monoisotopic mass
- 271.0878292
Names & identifiers
- Preferred name
- 4-(Pentylsulfonylamino)benzoic acid
- IUPAC
- 4-(pentylsulfonylamino)benzoic acid
Names & synonyms
6966-41-24-(pentylsulfonylamino)benzoic acidNSC18782SCHEMBL16051464DTXSID70280817NSC-187824-(PENTANE-1-SULFONAMIDO)BENZOIC ACID
Database identifiers
- CAS
6966-41-2- PubChem CID
- 227299
- DTXSID
DTXSID70280817
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 353
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Compound notes
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