4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid

C20H16N4O4S — CID 108783886

IUPAC4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)n(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C20H16N4O4S/c1-13-12-19(23-29(27,28)16-9-6-15(7-10-16)20(25)26)24(22-13)18-11-8-14-4-2-3-5-17(14)21-18/h2-12,23H,1H3,(H,25,26)
InChIKeyHNSXVMLYSSZZMP-UHFFFAOYSA-N
MW408.44 g/mol
LogP3.23
Rot. Bonds5

About 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid

4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid (PubChem CID 108783886) has the molecular formula C20H16N4O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid
PubChem CID108783886
Molecular FormulaC20H16N4O4S
Molecular Weight408.44 g/mol
Exact Mass408.09
IUPAC Name4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)n(-c2ccc3ccccc3n2)n1
InChIInChI=1S/C20H16N4O4S/c1-13-12-19(23-29(27,28)16-9-6-15(7-10-16)20(25)26)24(22-13)18-11-8-14-4-2-3-5-17(14)21-18/h2-12,23H,1H3,(H,25,26)
InChIKeyHNSXVMLYSSZZMP-UHFFFAOYSA-N
XLogP3.23
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783992
methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
CID 138994557
2-cyano-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)acetamide
CID 108768765
1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea
CID 108746548
2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide
CID 108746538
[3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate
CID 108768759
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797812
3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine
CID 108778771
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide
CID 2426865
4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
CID 11145237
N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-1H-benzimidazol-2-amine
CID 108778767
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)benzamide
CID 108803165

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid (CID 108783886) is 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid is Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)n(-c2ccc3ccccc3n2)n1.
What is the InChIKey of 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid?
The InChIKey is HNSXVMLYSSZZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S/c1-13-12-19(23-29(27,28)16-9-6-15(7-10-16)20(25)26)24(22-13)18-11-8-14-4-2-3-5-17(14)21-18/h2-12,23H,1H3,(H,25,26).
What are the key properties of 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid?
4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid has a molecular weight of 408.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 108783886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).