5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide

C22H24ClN3O3S — CID 135164628

IUPAC5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)C1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C22H24ClN3O3S/c23-18-13-11-17(12-14-18)21-20(16-7-3-1-4-8-16)15-26(24-21)22(27)25-30(28,29)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19-20H,2,5-6,9-10,15H2,(H,25,27)
InChIKeyGZGIUNUXNPXSCY-UHFFFAOYSA-N
MW445.97 g/mol
LogP4.52
Rot. Bonds4

About 5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 135164628) has the molecular formula C22H24ClN3O3S and a molecular weight of 445.97 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID135164628
Molecular FormulaC22H24ClN3O3S
Molecular Weight445.97 g/mol
Exact Mass445.12
IUPAC Name5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)C1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C22H24ClN3O3S/c23-18-13-11-17(12-14-18)21-20(16-7-3-1-4-8-16)15-26(24-21)22(27)25-30(28,29)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19-20H,2,5-6,9-10,15H2,(H,25,27)
InChIKeyGZGIUNUXNPXSCY-UHFFFAOYSA-N
XLogP4.52
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)sulfonyl-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 166135602
5-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 155321429
5-(4-chlorophenyl)-N',N'-dimethyl-4-phenyl-3,4-dihydropyrazole-2-carbohydrazide
CID 50902304
(4S)-5-(4-chlorophenyl)-4-phenyl-N-(4-phenylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 92979239
N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 19852175
(4R)-5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 11363773
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide
CID 141187695
N-(4-bromophenyl)sulfonyl-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 166135596
5-(4-chlorophenyl)-N'-(2-hydroxyethyl)-4-phenyl-N-piperidin-1-ylsulfonyl-3,4-dihydropyrazole-2-carboximidamide
CID 22267396
5-(4-chlorophenyl)-N'-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 11225246
(4R)-5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-N'-(2-sulfamoylpropyl)-3,4-dihydropyrazole-2-carboximidamide
CID 170164544
5-(4-chlorophenyl)-N-(diethylsulfamoyl)-4-phenyl-3,4-dihydropyrazole-2-carbothioamide;ethane
CID 166135609

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 135164628) is 5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(NS(=O)(=O)C1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is GZGIUNUXNPXSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S/c23-18-13-11-17(12-14-18)21-20(16-7-3-1-4-8-16)15-26(24-21)22(27)25-30(28,29)19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19-20H,2,5-6,9-10,15H2,(H,25,27).
What are the key properties of 5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 445.97 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 135164628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).