Basic information
- Standard SMILES
O=C(O)CCCCNS(=O)(=O)c1ccccc1- InChIKey
LMOLNMFWFNINRU-UHFFFAOYSA-N- Molecular formula
- C11H15NO4S
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.07217913
Names & identifiers
- Preferred name
- 5-[(Phenylsulfonyl)amino]pentanoic acid
- IUPAC
- 5-(benzenesulfonamido)pentanoic acid
Names & synonyms
133932-29-35-[(phenylsulfonyl)amino]pentanoic acid5-(benzenesulfonamido)pentanoic AcidPentanoic acid, 5-[(phenylsulfonyl)amino]-5-(Phenylsulfonamido)pentanoic acidMFCD019956625-BENZENESULFONAMIDOPENTANOIC ACIDCHEMBL56420SCHEMBL3383427LMOLNMFWFNINRU-UHFFFAOYSA-N5-(Phenylsulfonamido)pentanoicacidALBB-024032
Show more names
SBB0718335-(Benzenesulfonylamino)pentanoic acidAKOS001685872CCG-116679SB81570NCGC00319459-01LS-07712ST45027069
Database identifiers
- PubChem CID
- 4158640
- ChEMBL
CHEMBL56420- Nikkaji
- J412.865F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 328
Related reactions
2 records
Compound notes
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