2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid

C14H11F2NO4S — CID 18976316

IUPAC2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1c(-c2ccccc2)ccc(C(=O)O)c1C(F)F
InChIInChI=1S/C14H11F2NO4S/c15-13(16)11-10(14(18)19)7-6-9(12(11)22(17,20)21)8-4-2-1-3-5-8/h1-7,13H,(H,18,19)(H2,17,20,21)
InChIKeyYHRIWMDKOAPYME-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.64
Rot. Bonds4

About 2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid

2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid (PubChem CID 18976316) has the molecular formula C14H11F2NO4S and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid
PubChem CID18976316
Molecular FormulaC14H11F2NO4S
Molecular Weight327.31 g/mol
Exact Mass327.04
IUPAC Name2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1c(-c2ccccc2)ccc(C(=O)O)c1C(F)F
InChIInChI=1S/C14H11F2NO4S/c15-13(16)11-10(14(18)19)7-6-9(12(11)22(17,20)21)8-4-2-1-3-5-8/h1-7,13H,(H,18,19)(H2,17,20,21)
InChIKeyYHRIWMDKOAPYME-UHFFFAOYSA-N
XLogP2.64
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid?
The IUPAC name of 2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid (CID 18976316) is 2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid.
What is the SMILES notation for 2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid?
The canonical SMILES for 2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid is NS(=O)(=O)c1c(-c2ccccc2)ccc(C(=O)O)c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid?
The InChIKey is YHRIWMDKOAPYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4S/c15-13(16)11-10(14(18)19)7-6-9(12(11)22(17,20)21)8-4-2-1-3-5-8/h1-7,13H,(H,18,19)(H2,17,20,21).
What are the key properties of 2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid?
2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid has a molecular weight of 327.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-phenyl-3-sulfamoylbenzoic acid is sourced from PubChem (CID 18976316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).