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

C17H14FN5O4S — CID 171146147

IUPACN-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FN5O4S/c18-11-3-7-13(8-4-11)23-28(26,27)17-14(9-20-22-17)16(25)21-12-5-1-10(2-6-12)15(19)24/h1-9,23H,(H2,19,24)(H,20,22)(H,21,25)
InChIKeyGYADDSQBJSENEU-UHFFFAOYSA-N
MW403.40 g/mol
LogP1.70
Rot. Bonds6

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

N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (PubChem CID 171146147) has the molecular formula C17H14FN5O4S and a molecular weight of 403.40 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
PubChem CID171146147
Molecular FormulaC17H14FN5O4S
Molecular Weight403.40 g/mol
Exact Mass403.08
IUPAC NameN-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FN5O4S/c18-11-3-7-13(8-4-11)23-28(26,27)17-14(9-20-22-17)16(25)21-12-5-1-10(2-6-12)15(19)24/h1-9,23H,(H2,19,24)(H,20,22)(H,21,25)
InChIKeyGYADDSQBJSENEU-UHFFFAOYSA-N
XLogP1.70
TPSA147.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115450
N-(4-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115470
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687
5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 53115449
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538
N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115471
5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 53115477
N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115701
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115439
5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934258
N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (CID 171146147) is N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is NC(=O)c1ccc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The InChIKey is GYADDSQBJSENEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O4S/c18-11-3-7-13(8-4-11)23-28(26,27)17-14(9-20-22-17)16(25)21-12-5-1-10(2-6-12)15(19)24/h1-9,23H,(H2,19,24)(H,20,22)(H,21,25).
What are the key properties of N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 171146147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).