5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid

C15H15NO4S — CID 13394534

IUPAC5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-11-8-9-14(13(10-11)15(17)18)21(19,20)16(2)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,18)
InChIKeyNQVPLBFPQRNBDA-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.52
Rot. Bonds4

About 5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid

5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid (PubChem CID 13394534) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid
PubChem CID13394534
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-11-8-9-14(13(10-11)15(17)18)21(19,20)16(2)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,18)
InChIKeyNQVPLBFPQRNBDA-UHFFFAOYSA-N
XLogP2.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-methyl-3-[methyl(naphthalen-2-yl)sulfamoyl]benzoic acid
CID 51127325
3-[(4-carbamoylphenyl)-methylsulfamoyl]-2-hydroxy-5-methylbenzoic acid
CID 146129356
2-benzoyl-N,N-difluoro-4-methylbenzenesulfonamide
CID 172558196
2-(benzylamino)-4-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid
CID 154099658
N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide
CID 95374636
N-methyl-N-phenyl-2-(piperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119400127
2-(4-cyclopentylpiperazine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide
CID 78857211
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 30548140
2-cyano-N-methyl-N-phenylbenzenesulfonamide
CID 24701852
2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 51099020
N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 78857762

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid?
The IUPAC name of 5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid (CID 13394534) is 5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid is Cc1ccc(S(=O)(=O)N(C)c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid?
The InChIKey is NQVPLBFPQRNBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-11-8-9-14(13(10-11)15(17)18)21(19,20)16(2)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,17,18).
What are the key properties of 5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid?
5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 13394534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).