N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide

C23H19ClN4O3S — CID 55839751

IUPACN-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H19ClN4O3S/c1-16-7-10-19(13-22(16)27-32(30,31)21-5-3-2-4-6-21)26-23(29)17-14-25-28(15-17)20-11-8-18(24)9-12-20/h2-15,27H,1H3,(H,26,29)
InChIKeyUUWGHYPKORGCRH-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.89
Rot. Bonds6

About N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide

N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide (PubChem CID 55839751) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
PubChem CID55839751
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC NameN-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H19ClN4O3S/c1-16-7-10-19(13-22(16)27-32(30,31)21-5-3-2-4-6-21)26-23(29)17-14-25-28(15-17)20-11-8-18(24)9-12-20/h2-15,27H,1H3,(H,26,29)
InChIKeyUUWGHYPKORGCRH-UHFFFAOYSA-N
XLogP4.89
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide
CID 86991515
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 29202603
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715
N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide
CID 46465631
1-(4-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrazole-4-carboxamide
CID 55774788
N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 26285543
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
CID 46465633
N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 86806955
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-4-yl)benzamide
CID 47081142
N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062615
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenylpyrazole-4-carboxamide
CID 26244337

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide (CID 55839751) is N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide?
The InChIKey is UUWGHYPKORGCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c1-16-7-10-19(13-22(16)27-32(30,31)21-5-3-2-4-6-21)26-23(29)17-14-25-28(15-17)20-11-8-18(24)9-12-20/h2-15,27H,1H3,(H,26,29).
What are the key properties of N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide?
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide has a molecular weight of 466.95 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55839751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).