N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide

C17H15N5O4S — CID 53115450

IUPACN-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H15N5O4S/c18-15(23)11-6-8-12(9-7-11)20-16(24)14-10-19-21-17(14)27(25,26)22-13-4-2-1-3-5-13/h1-10,22H,(H2,18,23)(H,19,21)(H,20,24)
InChIKeyMHXBTUGOPZUEHX-UHFFFAOYSA-N
MW385.41 g/mol
LogP1.56
Rot. Bonds6

About N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide

N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide (PubChem CID 53115450) has the molecular formula C17H15N5O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
PubChem CID53115450
Molecular FormulaC17H15N5O4S
Molecular Weight385.41 g/mol
Exact Mass385.08
IUPAC NameN-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H15N5O4S/c18-15(23)11-6-8-12(9-7-11)20-16(24)14-10-19-21-17(14)27(25,26)22-13-4-2-1-3-5-13/h1-10,22H,(H2,18,23)(H,19,21)(H,20,24)
InChIKeyMHXBTUGOPZUEHX-UHFFFAOYSA-N
XLogP1.56
TPSA147.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 171146147
5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 53115449
N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115439
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate
CID 53115536
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
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538
5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934211
N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115471
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687
5-(1H-indazol-5-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912281
5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934258

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide (CID 53115450) is N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide is NC(=O)c1ccc(NC(=O)c2cn[nH]c2S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
The InChIKey is MHXBTUGOPZUEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4S/c18-15(23)11-6-8-12(9-7-11)20-16(24)14-10-19-21-17(14)27(25,26)22-13-4-2-1-3-5-13/h1-10,22H,(H2,18,23)(H,19,21)(H,20,24).
What are the key properties of N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 1.56, 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-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).