4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid

C13H11FN2O4S — CID 106934695

IUPAC4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid
SMILESCN(c1ccncc1)S(=O)(=O)c1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H11FN2O4S/c1-16(10-4-6-15-7-5-10)21(19,20)12-8-9(14)2-3-11(12)13(17)18/h2-8H,1H3,(H,17,18)
InChIKeyVVSKMMCMDAFRKO-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.74
Rot. Bonds4

About 4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid

4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid (PubChem CID 106934695) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid
PubChem CID106934695
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid
SMILESCN(c1ccncc1)S(=O)(=O)c1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H11FN2O4S/c1-16(10-4-6-15-7-5-10)21(19,20)12-8-9(14)2-3-11(12)13(17)18/h2-8H,1H3,(H,17,18)
InChIKeyVVSKMMCMDAFRKO-UHFFFAOYSA-N
XLogP1.74
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]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

2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919407
4-fluoro-2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
CID 102919575
2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 51099020
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
4-bromo-3-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid
CID 106934697
4-fluoro-2-methylsulfonylbenzoic acid
CID 54524852
4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102919424
2-[(2,5-difluorophenyl)sulfonyl-methylamino]-5-fluorobenzoic acid
CID 167809373
2-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-4-fluorobenzoic acid
CID 102919494
2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 167935434
methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate
CID 106934687
2-[ethyl(2-methylpropyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919413

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid (CID 106934695) is 4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid is CN(c1ccncc1)S(=O)(=O)c1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid?
The InChIKey is VVSKMMCMDAFRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c1-16(10-4-6-15-7-5-10)21(19,20)12-8-9(14)2-3-11(12)13(17)18/h2-8H,1H3,(H,17,18).
What are the key properties of 4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid?
4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid has a molecular weight of 310.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 106934695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).