5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid

C11H9BrN2O4S2 — CID 79048330

IUPAC5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1nc(NS(=O)(=O)c2ccc(C(=O)O)s2)ccc1Br
InChIInChI=1S/C11H9BrN2O4S2/c1-6-7(12)2-4-9(13-6)14-20(17,18)10-5-3-8(19-10)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyFOVJSZFXFXEOTF-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.71
Rot. Bonds4

About 5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid

5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 79048330) has the molecular formula C11H9BrN2O4S2 and a molecular weight of 377.24 g/mol. Its IUPAC name is 5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID79048330
Molecular FormulaC11H9BrN2O4S2
Molecular Weight377.24 g/mol
Exact Mass375.92
IUPAC Name5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1nc(NS(=O)(=O)c2ccc(C(=O)O)s2)ccc1Br
InChIInChI=1S/C11H9BrN2O4S2/c1-6-7(12)2-4-9(13-6)14-20(17,18)10-5-3-8(19-10)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyFOVJSZFXFXEOTF-UHFFFAOYSA-N
XLogP2.71
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (CID 79048330) is 5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1nc(NS(=O)(=O)c2ccc(C(=O)O)s2)ccc1Br.
What is the InChIKey of 5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is FOVJSZFXFXEOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O4S2/c1-6-7(12)2-4-9(13-6)14-20(17,18)10-5-3-8(19-10)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 377.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 79048330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).