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

C11H9BrN2O4S2 — CID 43362570

IUPAC5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cccnc1NS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H9BrN2O4S2/c1-6-3-2-4-13-10(6)14-20(17,18)8-5-7(11(15)16)19-9(8)12/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyGUUCGZWXZBLVLF-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.71
Rot. Bonds4

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

5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43362570) has the molecular formula C11H9BrN2O4S2 and a molecular weight of 377.24 g/mol. Its IUPAC name is 5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43362570
Molecular FormulaC11H9BrN2O4S2
Molecular Weight377.24 g/mol
Exact Mass375.92
IUPAC Name5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cccnc1NS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H9BrN2O4S2/c1-6-3-2-4-13-10(6)14-20(17,18)8-5-7(11(15)16)19-9(8)12/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyGUUCGZWXZBLVLF-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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Related Compounds

4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28828893
5-bromo-4-[(4-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43173260
5-bromo-4-[(4-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63327256
5-bromo-4-[(3-chloro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824334
5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid
CID 29274956
5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 45100413
5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82745764
5-bromo-4-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79041139
5-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362517
5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 106831690
2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 15944002
5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824179

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43362570) is 5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1cccnc1NS(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is GUUCGZWXZBLVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O4S2/c1-6-3-2-4-13-10(6)14-20(17,18)8-5-7(11(15)16)19-9(8)12/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(3-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-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43362570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).