3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid

C13H17NO4S — CID 43401355

IUPAC3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C1CC1
InChIInChI=1S/C13H17NO4S/c1-8-3-4-11(13(15)16)7-12(8)19(17,18)14-9(2)10-5-6-10/h3-4,7,9-10,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyKLVHBFFOGVJCMM-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.77
Rot. Bonds5

About 3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid

3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid (PubChem CID 43401355) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
PubChem CID43401355
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C1CC1
InChIInChI=1S/C13H17NO4S/c1-8-3-4-11(13(15)16)7-12(8)19(17,18)14-9(2)10-5-6-10/h3-4,7,9-10,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyKLVHBFFOGVJCMM-UHFFFAOYSA-N
XLogP1.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-cyclopropylethylsulfamoyl)-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

3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid
CID 60715494
3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid
CID 81389280
4-methyl-3-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43088942
3-bromo-5-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
CID 81488528
3-(hydrazinesulfonyl)-4-methylbenzoic acid
CID 12639642
4-methyl-3-(5-methylhexan-2-ylsulfamoyl)benzoic acid
CID 43401328
5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 39357441
4-(1-cyclopropylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 55203054
N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide
CID 84843581
5-(1-cyclopropylethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43533409
4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 99977473
4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63277680

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid?
The IUPAC name of 3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid (CID 43401355) is 3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid.
What is the SMILES notation for 3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid?
The canonical SMILES for 3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C1CC1.
What is the InChIKey of 3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid?
The InChIKey is KLVHBFFOGVJCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-8-3-4-11(13(15)16)7-12(8)19(17,18)14-9(2)10-5-6-10/h3-4,7,9-10,14H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid?
3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid has a molecular weight of 283.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid is sourced from PubChem (CID 43401355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).