N-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide

C17H15FN4O3S — CID 53115447

IUPACN-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccccc2)ccc1F
InChIInChI=1S/C17H15FN4O3S/c1-11-9-13(7-8-15(11)18)20-16(23)14-10-19-21-17(14)26(24,25)22-12-5-3-2-4-6-12/h2-10,22H,1H3,(H,19,21)(H,20,23)
InChIKeyJDTXYNJQWCGMOZ-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.91
Rot. Bonds5

About N-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide

N-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide (PubChem CID 53115447) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
PubChem CID53115447
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC NameN-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccccc2)ccc1F
InChIInChI=1S/C17H15FN4O3S/c1-11-9-13(7-8-15(11)18)20-16(23)14-10-19-21-17(14)26(24,25)22-12-5-3-2-4-6-12/h2-10,22H,1H3,(H,19,21)(H,20,23)
InChIKeyJDTXYNJQWCGMOZ-UHFFFAOYSA-N
XLogP2.91
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide (CID 53115447) is N-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide is Cc1cc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccccc2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
The InChIKey is JDTXYNJQWCGMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-11-9-13(7-8-15(11)18)20-16(23)14-10-19-21-17(14)26(24,25)22-12-5-3-2-4-6-12/h2-10,22H,1H3,(H,19,21)(H,20,23).
What are the key properties of N-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
N-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).