5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid

C11H8Br2N2O4S2 — CID 79041139

IUPAC5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1nc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)ccc1Br
InChIInChI=1S/C11H8Br2N2O4S2/c1-5-6(12)2-3-9(14-5)15-21(18,19)8-4-7(11(16)17)20-10(8)13/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyUCUVHDNUAFKZAS-UHFFFAOYSA-N
MW456.14 g/mol
LogP3.48
Rot. Bonds4

About 5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 79041139) has the molecular formula C11H8Br2N2O4S2 and a molecular weight of 456.14 g/mol. Its IUPAC name is 5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID79041139
Molecular FormulaC11H8Br2N2O4S2
Molecular Weight456.14 g/mol
Exact Mass453.83
IUPAC Name5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1nc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)ccc1Br
InChIInChI=1S/C11H8Br2N2O4S2/c1-5-6(12)2-3-9(14-5)15-21(18,19)8-4-7(11(16)17)20-10(8)13/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyUCUVHDNUAFKZAS-UHFFFAOYSA-N
XLogP3.48
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.14
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (CID 79041139) is 5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1nc(NS(=O)(=O)c2cc(C(=O)O)sc2Br)ccc1Br.
What is the InChIKey of 5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is UCUVHDNUAFKZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O4S2/c1-5-6(12)2-3-9(14-5)15-21(18,19)8-4-7(11(16)17)20-10(8)13/h2-4H,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 456.14 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 79041139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).