Basic information
- CAS
6948-85-2- Standard SMILES
CCCCCCCS(=O)(=O)Nc1ccc(C(=O)O)cc1- InChIKey
DMIYEZSENOLXIP-UHFFFAOYSA-N- Molecular formula
- C14H21NO4S
- Average molar mass
- 299.39 g/mol
- Monoisotopic mass
- 299.11912932
Names & identifiers
- Preferred name
- 4-[(Heptylsulfonyl)amino]benzoic acid
- IUPAC
- 4-(heptylsulfonylamino)benzoic acid
Names & synonyms
6948-85-24-[(heptylsulfonyl)amino]benzoic acidNSC18784DTXSID30280818NSC-187844-(Heptane-1-sulfonamido)benzoic acid
Database identifiers
- CAS
6948-85-2- PubChem CID
- 227301
- DTXSID
DTXSID30280818
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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