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

C11H10N2O4S2 — CID 29274956

IUPAC5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCc1cccnc1NS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H10N2O4S2/c1-7-3-2-4-12-10(7)13-19(16,17)9-5-8(6-18-9)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeySKLOFQQAXJLXQW-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.95
Rot. Bonds4

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

5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 29274956) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID29274956
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCc1cccnc1NS(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C11H10N2O4S2/c1-7-3-2-4-12-10(7)13-19(16,17)9-5-8(6-18-9)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeySKLOFQQAXJLXQW-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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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid (CID 29274956) is 5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid is Cc1cccnc1NS(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is SKLOFQQAXJLXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c1-7-3-2-4-12-10(7)13-19(16,17)9-5-8(6-18-9)11(14)15/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-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 5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 29274956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).