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

C13H13NO4S2 — CID 102747571

IUPAC4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2c(C)csc2C(=O)O)cc1
InChIInChI=1S/C13H13NO4S2/c1-8-3-5-10(6-4-8)14-20(17,18)12-9(2)7-19-11(12)13(15)16/h3-7,14H,1-2H3,(H,15,16)
InChIKeyVZQJVBZQSWHLRD-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.86
Rot. Bonds4

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

4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 102747571) has the molecular formula C13H13NO4S2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID102747571
Molecular FormulaC13H13NO4S2
Molecular Weight311.38 g/mol
Exact Mass311.03
IUPAC Name4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2c(C)csc2C(=O)O)cc1
InChIInChI=1S/C13H13NO4S2/c1-8-3-5-10(6-4-8)14-20(17,18)12-9(2)7-19-11(12)13(15)16/h3-7,14H,1-2H3,(H,15,16)
InChIKeyVZQJVBZQSWHLRD-UHFFFAOYSA-N
XLogP2.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747775
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107584635
3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747592
3-[(2,6-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747945
3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748150
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747696
methyl 3-[(4-hydroxyphenyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748160
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747563
4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747825
3-[(2-bromo-3-methylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102749098
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 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 102747571) is 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1ccc(NS(=O)(=O)c2c(C)csc2C(=O)O)cc1.
What is the InChIKey of 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is VZQJVBZQSWHLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S2/c1-8-3-5-10(6-4-8)14-20(17,18)12-9(2)7-19-11(12)13(15)16/h3-7,14H,1-2H3,(H,15,16).
What are the key properties of 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 102747571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).