3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

C14H15NO4S2 — CID 102747563

IUPAC3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1cccc(NS(=O)(=O)c2c(C)csc2C(=O)O)c1C
InChIInChI=1S/C14H15NO4S2/c1-8-5-4-6-11(10(8)3)15-21(18,19)13-9(2)7-20-12(13)14(16)17/h4-7,15H,1-3H3,(H,16,17)
InChIKeyAUJISMVWHFKUKL-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.17
Rot. Bonds4

About 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102747563) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102747563
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1cccc(NS(=O)(=O)c2c(C)csc2C(=O)O)c1C
InChIInChI=1S/C14H15NO4S2/c1-8-5-4-6-11(10(8)3)15-21(18,19)13-9(2)7-20-12(13)14(16)17/h4-7,15H,1-3H3,(H,16,17)
InChIKeyAUJISMVWHFKUKL-UHFFFAOYSA-N
XLogP3.17
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic 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-[(2-bromo-3-methylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102749098
3-[(2,6-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747945
3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747592
4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747825
4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747571
3-[(5-bromo-2-fluorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748061
3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748150
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747696
3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747775
bromomethane;3-[(2,3-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 90762756
4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102747453
3-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748976

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102747563) is 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is Cc1cccc(NS(=O)(=O)c2c(C)csc2C(=O)O)c1C.
What is the InChIKey of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is AUJISMVWHFKUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-8-5-4-6-11(10(8)3)15-21(18,19)13-9(2)7-20-12(13)14(16)17/h4-7,15H,1-3H3,(H,16,17).
What are the key properties of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102747563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).