3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide

C16H14N4O3S — CID 57411990

IUPAC3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H14N4O3S/c17-16(21)14-10-20(19-15(14)11-4-2-1-3-5-11)12-6-8-13(9-7-12)24(18,22)23/h1-10H,(H2,17,21)(H2,18,22,23)
InChIKeyKXSJAIKVZNEKEA-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.29
Rot. Bonds4

About 3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide

3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide (PubChem CID 57411990) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
PubChem CID57411990
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H14N4O3S/c17-16(21)14-10-20(19-15(14)11-4-2-1-3-5-11)12-6-8-13(9-7-12)24(18,22)23/h1-10H,(H2,17,21)(H2,18,22,23)
InChIKeyKXSJAIKVZNEKEA-UHFFFAOYSA-N
XLogP1.29
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide (CID 57411990) is 3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide is NC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1.
What is the InChIKey of 3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide?
The InChIKey is KXSJAIKVZNEKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c17-16(21)14-10-20(19-15(14)11-4-2-1-3-5-11)12-6-8-13(9-7-12)24(18,22)23/h1-10H,(H2,17,21)(H2,18,22,23).
What are the key properties of 3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide?
3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 57411990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).