Basic information
- Standard SMILES
O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc3occc3c2)c2ncc(C(F)(F)F)cc2Cl)cc1- InChIKey
IFVVNDCHVQSSBT-UHFFFAOYSA-N- Molecular formula
- C22H14ClF3N2O5S
- Average molar mass
- 510.9 g/mol
Names & identifiers
- Preferred name
- 4-(N-(Benzofuran-5-ylmethyl)-N-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)sulfamoyl)benzoic acid
- IUPAC
- 4-[1-benzofuran-5-ylmethyl-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]benzoic acid
Names & synonyms
CHEMBL33536064-{[(1-benzofuran-5-yl)methyl][3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl}benzoic acid1370513-72-64-(N-(Benzofuran-5-ylmethyl)-N-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)sulfamoyl)benzoic acidSCHEMBL904761BDBM50036551EN300-27122169
Database identifiers
- PubChem CID
- 56949331
- ChEMBL
CHEMBL3353606
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 831
Related reactions
1 records
Compound notes
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