4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid

C13H17NO5S — CID 82726035

IUPAC4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid
SMILESCc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCOC1C
InChIInChI=1S/C13H17NO5S/c1-8-3-4-10(13(15)16)7-12(8)20(17,18)14-11-5-6-19-9(11)2/h3-4,7,9,11,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyZPEYDBRHPRVIIO-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.15
Rot. Bonds4

About 4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid

4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid (PubChem CID 82726035) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid
PubChem CID82726035
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid
SMILESCc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCOC1C
InChIInChI=1S/C13H17NO5S/c1-8-3-4-10(13(15)16)7-12(8)20(17,18)14-11-5-6-19-9(11)2/h3-4,7,9,11,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyZPEYDBRHPRVIIO-UHFFFAOYSA-N
XLogP1.15
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-[(2-methyloxolan-3-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

4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63277680
4-methyl-3-[(2-methyloxolan-3-yl)amino]benzoic acid
CID 82727307
4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43317213
5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 82725833
3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid
CID 60715494
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]-4-methylbenzoic acid
CID 114628921
4-methyl-3-(thian-3-ylsulfamoyl)benzoic acid
CID 104655157
3-[(2-methyloxolan-3-yl)sulfamoylmethyl]benzoic acid
CID 82725233
3-(hydrazinesulfonyl)-4-methylbenzoic acid
CID 12639642
3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
CID 43401355
8-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 82716150
4-methyl-3-(oxolan-3-ylmethylsulfamoyl)benzoic acid
CID 60920449

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid (CID 82726035) is 4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid is Cc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCOC1C.
What is the InChIKey of 4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid?
The InChIKey is ZPEYDBRHPRVIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-8-3-4-10(13(15)16)7-12(8)20(17,18)14-11-5-6-19-9(11)2/h3-4,7,9,11,14H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid?
4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid has a molecular weight of 299.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 82726035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).