2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid

C14H10F3NO4S — CID 51099020

IUPAC2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C14H10F3NO4S/c1-18(9-4-2-8(15)3-5-9)23(21,22)13-6-10(14(19)20)11(16)7-12(13)17/h2-7H,1H3,(H,19,20)
InChIKeyVEZGXQLXWAVQIW-UHFFFAOYSA-N
MW345.30 g/mol
LogP2.63
Rot. Bonds4

About 2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid

2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid (PubChem CID 51099020) has the molecular formula C14H10F3NO4S and a molecular weight of 345.30 g/mol. Its IUPAC name is 2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid
PubChem CID51099020
Molecular FormulaC14H10F3NO4S
Molecular Weight345.30 g/mol
Exact Mass345.03
IUPAC Name2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C14H10F3NO4S/c1-18(9-4-2-8(15)3-5-9)23(21,22)13-6-10(14(19)20)11(16)7-12(13)17/h2-7H,1H3,(H,19,20)
InChIKeyVEZGXQLXWAVQIW-UHFFFAOYSA-N
XLogP2.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid
CID 106934695
2-[(2,5-difluorophenyl)sulfonyl-methylamino]-5-fluorobenzoic acid
CID 167809373
4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 154747396
5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
CID 65207218
N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 62983286
N-(4-fluorophenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 78775226
5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid
CID 13394534
4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733356
2-amino-5-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733378
4-[(2-fluoro-3-methylphenyl)sulfonyl-methylamino]benzoic acid
CID 138044023
5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 51127103
2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
CID 16773334

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid?
The IUPAC name of 2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid (CID 51099020) is 2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid?
The canonical SMILES for 2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid is CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid?
The InChIKey is VEZGXQLXWAVQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4S/c1-18(9-4-2-8(15)3-5-9)23(21,22)13-6-10(14(19)20)11(16)7-12(13)17/h2-7H,1H3,(H,19,20).
What are the key properties of 2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid?
2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid has a molecular weight of 345.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid is sourced from PubChem (CID 51099020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).