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

C16H13ClN4O3S — CID 53115439

IUPACN-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cn[nH]c1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C16H13ClN4O3S/c17-11-5-4-8-13(9-11)19-15(22)14-10-18-20-16(14)25(23,24)21-12-6-2-1-3-7-12/h1-10,21H,(H,18,20)(H,19,22)
InChIKeyIFIRIJITXJIFMW-UHFFFAOYSA-N
MW376.83 g/mol
LogP3.12
Rot. Bonds5

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

N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide (PubChem CID 53115439) has the molecular formula C16H13ClN4O3S and a molecular weight of 376.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
PubChem CID53115439
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.83 g/mol
Exact Mass376.04
IUPAC NameN-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cn[nH]c1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C16H13ClN4O3S/c17-11-5-4-8-13(9-11)19-15(22)14-10-18-20-16(14)25(23,24)21-12-6-2-1-3-7-12/h1-10,21H,(H,18,20)(H,19,22)
InChIKeyIFIRIJITXJIFMW-UHFFFAOYSA-N
XLogP3.12
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115450
5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 53115449
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538
5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 53115477
N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115668
5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550
N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 171146147
5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934258
N-(4-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115470
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
5-[(3-ethynylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60910898

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide (CID 53115439) is N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1cn[nH]c1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
The InChIKey is IFIRIJITXJIFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S/c17-11-5-4-8-13(9-11)19-15(22)14-10-18-20-16(14)25(23,24)21-12-6-2-1-3-7-12/h1-10,21H,(H,18,20)(H,19,22).
What are the key properties of N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide?
N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide has a molecular weight of 376.83 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).