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

C11H10N2O4S2 — CID 79042040

IUPAC3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ncccc1NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C11H10N2O4S2/c1-7-8(3-2-5-12-7)13-19(16,17)9-4-6-18-10(9)11(14)15/h2-6,13H,1H3,(H,14,15)
InChIKeySFLLMIKFLYVZSK-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.95
Rot. Bonds4

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

3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 79042040) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID79042040
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ncccc1NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C11H10N2O4S2/c1-7-8(3-2-5-12-7)13-19(16,17)9-4-6-18-10(9)11(14)15/h2-6,13H,1H3,(H,14,15)
InChIKeySFLLMIKFLYVZSK-UHFFFAOYSA-N
XLogP1.95
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235689
methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
3-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235706
3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090747
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979
3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235697
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
bromomethane;3-[(2,3-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 90762756
2-methyl-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 79042866
3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235732
3-[(6-methoxy-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235742
3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
CID 43443006

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (CID 79042040) is 3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1ncccc1NS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is SFLLMIKFLYVZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c1-7-8(3-2-5-12-7)13-19(16,17)9-4-6-18-10(9)11(14)15/h2-6,13H,1H3,(H,14,15).
What are the key properties of 3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 79042040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).