N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide

C22H17ClN4O3S — CID 29202603

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H17ClN4O3S/c23-17-9-11-18(12-10-17)26-31(29,30)21-8-4-5-19(13-21)25-22(28)16-14-24-27(15-16)20-6-2-1-3-7-20/h1-15,26H,(H,25,28)
InChIKeyAKBOIHVTLKDQCS-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.58
Rot. Bonds6

About N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide

N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 29202603) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID29202603
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.92 g/mol
Exact Mass452.07
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C22H17ClN4O3S/c23-17-9-11-18(12-10-17)26-31(29,30)21-8-4-5-19(13-21)25-22(28)16-14-24-27(15-16)20-6-2-1-3-7-20/h1-15,26H,(H,25,28)
InChIKeyAKBOIHVTLKDQCS-UHFFFAOYSA-N
XLogP4.58
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55839751
1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 55786624
1-(3-chlorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide
CID 60529641
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 51162183
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 25436790
4-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26592920
N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 86806955
1-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 20931902
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-4-yl)benzamide
CID 47081142
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55819813
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide (CID 29202603) is N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is AKBOIHVTLKDQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c23-17-9-11-18(12-10-17)26-31(29,30)21-8-4-5-19(13-21)25-22(28)16-14-24-27(15-16)20-6-2-1-3-7-20/h1-15,26H,(H,25,28).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 452.92 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 29202603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).