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

C17H14F2N4O3S — CID 53115471

IUPACN-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H14F2N4O3S/c1-10-2-4-11(5-3-10)23-27(25,26)17-13(9-20-22-17)16(24)21-12-6-7-14(18)15(19)8-12/h2-9,23H,1H3,(H,20,22)(H,21,24)
InChIKeyNKHRPTJXBHNKNE-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.05
Rot. Bonds5

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

N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (PubChem CID 53115471) has the molecular formula C17H14F2N4O3S and a molecular weight of 392.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
PubChem CID53115471
Molecular FormulaC17H14F2N4O3S
Molecular Weight392.39 g/mol
Exact Mass392.08
IUPAC NameN-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H14F2N4O3S/c1-10-2-4-11(5-3-10)23-27(25,26)17-13(9-20-22-17)16(24)21-12-6-7-14(18)15(19)8-12/h2-9,23H,1H3,(H,20,22)(H,21,24)
InChIKeyNKHRPTJXBHNKNE-UHFFFAOYSA-N
XLogP3.05
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115470
5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 53115477
5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934211
N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757426
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538
5-[(4-fluoro-3-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62811098
N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115439
N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 171146147
N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115450
N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115701
5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 53115449

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (CID 53115471) is N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is Cc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The InChIKey is NKHRPTJXBHNKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3S/c1-10-2-4-11(5-3-10)23-27(25,26)17-13(9-20-22-17)16(24)21-12-6-7-14(18)15(19)8-12/h2-9,23H,1H3,(H,20,22)(H,21,24).
What are the key properties of N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).