N-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide

C17H15FN4O3S — CID 53115469

IUPACN-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H15FN4O3S/c1-11-5-7-13(8-6-11)22-26(24,25)17-15(10-19-21-17)16(23)20-14-4-2-3-12(18)9-14/h2-10,22H,1H3,(H,19,21)(H,20,23)
InChIKeyXNAAMZQRDJGBMS-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.91
Rot. Bonds5

About N-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide

N-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (PubChem CID 53115469) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
PubChem CID53115469
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC NameN-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H15FN4O3S/c1-11-5-7-13(8-6-11)22-26(24,25)17-15(10-19-21-17)16(23)20-14-4-2-3-12(18)9-14/h2-10,22H,1H3,(H,19,21)(H,20,23)
InChIKeyXNAAMZQRDJGBMS-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-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (CID 53115469) is N-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is Cc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The InChIKey is XNAAMZQRDJGBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-11-5-7-13(8-6-11)22-26(24,25)17-15(10-19-21-17)16(23)20-14-4-2-3-12(18)9-14/h2-10,22H,1H3,(H,19,21)(H,20,23).
What are the key properties of N-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
N-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-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-(3-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).