Basic information
- CAS
413582-77-1- Standard SMILES
O=C(O)c1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1- InChIKey
YTWOZNGJONKVTQ-UHFFFAOYSA-N- Molecular formula
- C19H21NO4S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.11912932
Names & identifiers
- Preferred name
- 3-{[(4-Cyclohexylphenyl)sulfonyl]amino}benzoic acid
- IUPAC
- 3-[(4-cyclohexylphenyl)sulfonylamino]benzoic acid
Names & synonyms
3-{[(4-cyclohexylphenyl)sulfonyl]amino}benzoic acid413582-77-13-[[(4-Cyclohexylphenyl)sulfonyl]amino]benzoic acid3-[(4-cyclohexylphenyl)sulfonylamino]benzoic acidOprea1_208706Oprea1_798826CBDivE_007182MLS000706543CHEMBL1562823DTXSID501222791HMS2661K12AKOS000727715
Show more names
SMR000272709ST502175473-[(4-Cyclohexylbenzene-1-sulfonyl)amino]benzoic acid
Database identifiers
- CAS
413582-77-1- PubChem CID
- 1069254
- DTXSID
DTXSID501222791- ChEMBL
CHEMBL1562823
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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