Basic information
- CAS
69484-49-7- Standard SMILES
NS(=O)(=O)c1cc(C(=O)O)cc(NC(=O)CCCCl)c1Oc1ccccc1- InChIKey
LERVYJLIAOIMEJ-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2O6S
- Average molar mass
- 412.8 g/mol
- Monoisotopic mass
- 412.0495851
Names & identifiers
- Preferred name
- 3-(4-Chlorobutanoylamino)-4-phenoxy-5-sulfamoylbenzoic acid
- IUPAC
- 3-(4-chlorobutanoylamino)-4-phenoxy-5-sulfamoylbenzoic acid
Names & synonyms
69484-49-73-(4-chlorobutanoylamino)-4-phenoxy-5-sulfamoylbenzoic acidNSC277210SCHEMBL11456212DTXSID40313787LERVYJLIAOIMEJ-UHFFFAOYSA-NBenzoicacid, 3-(aminosulfonyl)-5-[(4-chloro-1-oxobutyl)amino]-4-phenoxy-NSC-277210DS-0072063-(gamma-chlorobutyrylamino)-4-phenoxy-5-sulfamylbenzoic acid3-(4-CHLOROBUTANAMIDO)-4-PHENOXY-5-SULFAMOYLBENZOIC ACID
Database identifiers
- CAS
69484-49-7- PubChem CID
- 321963
- DTXSID
DTXSID40313787
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 617
Related reactions
3 records
Compound notes
Loading…