4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C13H13NO4S3 — CID 102747696

IUPAC4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCSc1cccc(NS(=O)(=O)c2c(C)csc2C(=O)O)c1
InChIInChI=1S/C13H13NO4S3/c1-8-7-20-11(13(15)16)12(8)21(17,18)14-9-4-3-5-10(6-9)19-2/h3-7,14H,1-2H3,(H,15,16)
InChIKeySYQZBYJSDPFJER-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.28
Rot. Bonds5

About 4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid

4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 102747696) has the molecular formula C13H13NO4S3 and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID102747696
Molecular FormulaC13H13NO4S3
Molecular Weight343.45 g/mol
Exact Mass343.00
IUPAC Name4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCSc1cccc(NS(=O)(=O)c2c(C)csc2C(=O)O)c1
InChIInChI=1S/C13H13NO4S3/c1-8-7-20-11(13(15)16)12(8)21(17,18)14-9-4-3-5-10(6-9)19-2/h3-7,14H,1-2H3,(H,15,16)
InChIKeySYQZBYJSDPFJER-UHFFFAOYSA-N
XLogP3.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-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-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747592
3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748150
4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747571
3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747775
3-[(2,6-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747945
4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747825
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747563
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25335355
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107584635
3-[(2-bromo-3-methylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102749098
3-[(5-bromo-2-fluorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748061
2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2089878

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 102747696) is 4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid is CSc1cccc(NS(=O)(=O)c2c(C)csc2C(=O)O)c1.
What is the InChIKey of 4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is SYQZBYJSDPFJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S3/c1-8-7-20-11(13(15)16)12(8)21(17,18)14-9-4-3-5-10(6-9)19-2/h3-7,14H,1-2H3,(H,15,16).
What are the key properties of 4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 343.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 102747696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).