4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid

C12H12N2O4S2 — CID 107584635

IUPAC4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cncc(NS(=O)(=O)c2c(C)csc2C(=O)O)c1
InChIInChI=1S/C12H12N2O4S2/c1-7-3-9(5-13-4-7)14-20(17,18)11-8(2)6-19-10(11)12(15)16/h3-6,14H,1-2H3,(H,15,16)
InChIKeyOIPDOZRORSONKQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.26
Rot. Bonds4

About 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid

4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 107584635) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID107584635
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Name4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cncc(NS(=O)(=O)c2c(C)csc2C(=O)O)c1
InChIInChI=1S/C12H12N2O4S2/c1-7-3-9(5-13-4-7)14-20(17,18)11-8(2)6-19-10(11)12(15)16/h3-6,14H,1-2H3,(H,15,16)
InChIKeyOIPDOZRORSONKQ-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

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-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747592
methyl 4-methyl-3-(pyrimidin-5-ylsulfamoyl)thiophene-2-carboxylate
CID 102794851
3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748150
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747696
4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102747453
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747563
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584612
3-[(5-bromo-2-fluorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748061
3-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748976
3-[(2,6-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747945

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (CID 107584635) is 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1cncc(NS(=O)(=O)c2c(C)csc2C(=O)O)c1.
What is the InChIKey of 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is OIPDOZRORSONKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-7-3-9(5-13-4-7)14-20(17,18)11-8(2)6-19-10(11)12(15)16/h3-6,14H,1-2H3,(H,15,16).
What are the key properties of 4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
4-methyl-3-[(5-methyl-3-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-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 107584635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).