5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid

C15H14FNO5S — CID 51127103

IUPAC5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)N(C)c1ccccc1F
InChIInChI=1S/C15H14FNO5S/c1-9-7-13(18)10(15(19)20)8-14(9)23(21,22)17(2)12-6-4-3-5-11(12)16/h3-8,18H,1-2H3,(H,19,20)
InChIKeyNROZPGRAPRPGLP-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.36
Rot. Bonds4

About 5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid

5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid (PubChem CID 51127103) has the molecular formula C15H14FNO5S and a molecular weight of 339.34 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid
PubChem CID51127103
Molecular FormulaC15H14FNO5S
Molecular Weight339.34 g/mol
Exact Mass339.06
IUPAC Name5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)N(C)c1ccccc1F
InChIInChI=1S/C15H14FNO5S/c1-9-7-13(18)10(15(19)20)8-14(9)23(21,22)17(2)12-6-4-3-5-11(12)16/h3-8,18H,1-2H3,(H,19,20)
InChIKeyNROZPGRAPRPGLP-UHFFFAOYSA-N
XLogP2.36
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic 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-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 154747396
2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
CID 16773334
5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid
CID 56797651
3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 154748258
2-hydroxy-4-methyl-5-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]benzoic acid
CID 115985591
N-(2-fluorophenyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 99580877
2-hydroxy-5-[2-methoxyethyl(methyl)sulfamoyl]-4-methylbenzoic acid
CID 61040560
5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 60951459
5-[1-cyanopropan-2-yl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 63223536
2-[(2,5-difluorophenyl)sulfonyl-methylamino]-5-fluorobenzoic acid
CID 167809373
2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178765
2-hydroxy-5-[[2-(methanesulfonamido)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 55676420

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid?
The IUPAC name of 5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid (CID 51127103) is 5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid?
The canonical SMILES for 5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid is Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)N(C)c1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid?
The InChIKey is NROZPGRAPRPGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5S/c1-9-7-13(18)10(15(19)20)8-14(9)23(21,22)17(2)12-6-4-3-5-11(12)16/h3-8,18H,1-2H3,(H,19,20).
What are the key properties of 5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid?
5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid has a molecular weight of 339.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid is sourced from PubChem (CID 51127103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).