6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid

C9H6BrN3O4S2 — CID 63874506

IUPAC6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ncc(Br)s2)nc1
InChIInChI=1S/C9H6BrN3O4S2/c10-6-4-12-9(18-6)13-19(16,17)7-2-1-5(3-11-7)8(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyJCGXGKBAVKQXIV-UHFFFAOYSA-N
MW364.20 g/mol
LogP1.80
Rot. Bonds4

About 6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid

6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63874506) has the molecular formula C9H6BrN3O4S2 and a molecular weight of 364.20 g/mol. Its IUPAC name is 6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63874506
Molecular FormulaC9H6BrN3O4S2
Molecular Weight364.20 g/mol
Exact Mass362.90
IUPAC Name6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ncc(Br)s2)nc1
InChIInChI=1S/C9H6BrN3O4S2/c10-6-4-12-9(18-6)13-19(16,17)7-2-1-5(3-11-7)8(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKeyJCGXGKBAVKQXIV-UHFFFAOYSA-N
XLogP1.80
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4,5-difluorobenzoic acid
CID 105112964
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 60785748
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
CID 107848275
5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 60784641
6-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 113433482
6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872781
6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873772
6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872962
6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64782041
6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872022
6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873742

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid (CID 63874506) is 6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ncc(Br)s2)nc1.
What is the InChIKey of 6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is JCGXGKBAVKQXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O4S2/c10-6-4-12-9(18-6)13-19(16,17)7-2-1-5(3-11-7)8(14)15/h1-4H,(H,12,13)(H,14,15).
What are the key properties of 6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 364.20 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63874506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).