5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid

C16H12ClN3O4S — CID 173202302

IUPAC5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-c2cnn(C(=O)O)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClN3O4S/c17-12-5-1-11(2-6-12)15-14(9-19-20(15)16(21)22)10-3-7-13(8-4-10)25(18,23)24/h1-9H,(H,21,22)(H2,18,23,24)
InChIKeyVWMFJELYXNSGAU-UHFFFAOYSA-N
MW377.81 g/mol
LogP3.04
Rot. Bonds3

About 5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid

5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid (PubChem CID 173202302) has the molecular formula C16H12ClN3O4S and a molecular weight of 377.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid
PubChem CID173202302
Molecular FormulaC16H12ClN3O4S
Molecular Weight377.81 g/mol
Exact Mass377.02
IUPAC Name5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid
SMILESNS(=O)(=O)c1ccc(-c2cnn(C(=O)O)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClN3O4S/c17-12-5-1-11(2-6-12)15-14(9-19-20(15)16(21)22)10-3-7-13(8-4-10)25(18,23)24/h1-9H,(H,21,22)(H2,18,23,24)
InChIKeyVWMFJELYXNSGAU-UHFFFAOYSA-N
XLogP3.04
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylic acid
CID 162654790
4-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 126754935
4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide
CID 173275535
4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)pyrazole-1-carboxamide
CID 173275897
ethyl 2-[4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate
CID 19355339
methyl 4-chloro-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 10717305
[3,5-bis(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl] hydrogen carbonate
CID 70280192
3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid
CID 52916544
4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide
CID 23209697
4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 54241160
4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide
CID 118576308
5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide
CID 141132955

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid (CID 173202302) is 5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid is NS(=O)(=O)c1ccc(-c2cnn(C(=O)O)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid?
The InChIKey is VWMFJELYXNSGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4S/c17-12-5-1-11(2-6-12)15-14(9-19-20(15)16(21)22)10-3-7-13(8-4-10)25(18,23)24/h1-9H,(H,21,22)(H2,18,23,24).
What are the key properties of 5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid?
5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid has a molecular weight of 377.81 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid is sourced from PubChem (CID 173202302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).