4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid

C12H12N2O4S2 — CID 102747825

IUPAC4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cccc(NS(=O)(=O)c2c(C)csc2C(=O)O)n1
InChIInChI=1S/C12H12N2O4S2/c1-7-6-19-10(12(15)16)11(7)20(17,18)14-9-5-3-4-8(2)13-9/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyIZFSHLWNHQPECS-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.26
Rot. Bonds4

About 4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid

4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 102747825) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID102747825
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Name4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cccc(NS(=O)(=O)c2c(C)csc2C(=O)O)n1
InChIInChI=1S/C12H12N2O4S2/c1-7-6-19-10(12(15)16)11(7)20(17,18)14-9-5-3-4-8(2)13-9/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyIZFSHLWNHQPECS-UHFFFAOYSA-N
XLogP2.26
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748976
2-(ethylaminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086860
3-[(2,6-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747945
2-(aminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086886
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747563
4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 102749443
3-[(2-bromo-3-methylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102749098
4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747571
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747696
3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747592
3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747775
3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748150

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (CID 102747825) is 4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1cccc(NS(=O)(=O)c2c(C)csc2C(=O)O)n1.
What is the InChIKey of 4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is IZFSHLWNHQPECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-7-6-19-10(12(15)16)11(7)20(17,18)14-9-5-3-4-8(2)13-9/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 102747825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).