5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C10H9BrN4O4S — CID 79734110

IUPAC5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2[nH]ncc2C(=O)O)ncc1Br
InChIInChI=1S/C10H9BrN4O4S/c1-5-2-8(12-4-7(5)11)15-20(18,19)9-6(10(16)17)3-13-14-9/h2-4H,1H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyFYFDKKDWPGYVFN-UHFFFAOYSA-N
MW361.18 g/mol
LogP1.37
Rot. Bonds4

About 5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 79734110) has the molecular formula C10H9BrN4O4S and a molecular weight of 361.18 g/mol. Its IUPAC name is 5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID79734110
Molecular FormulaC10H9BrN4O4S
Molecular Weight361.18 g/mol
Exact Mass359.95
IUPAC Name5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2[nH]ncc2C(=O)O)ncc1Br
InChIInChI=1S/C10H9BrN4O4S/c1-5-2-8(12-4-7(5)11)15-20(18,19)9-6(10(16)17)3-13-14-9/h2-4H,1H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyFYFDKKDWPGYVFN-UHFFFAOYSA-N
XLogP1.37
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluoro-3-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62811098
5-[(3-fluoro-5-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 79054686
5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 102852558
4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 79735958
5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934211
5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934269
5-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933926
5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62904001
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107787367
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylbenzenesulfonamide
CID 79733417
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 79729890

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 79734110) is 5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is Cc1cc(NS(=O)(=O)c2[nH]ncc2C(=O)O)ncc1Br.
What is the InChIKey of 5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is FYFDKKDWPGYVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O4S/c1-5-2-8(12-4-7(5)11)15-20(18,19)9-6(10(16)17)3-13-14-9/h2-4H,1H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 361.18 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 79734110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).