5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide

C21H21ClF2N4O3S — CID 58349822

IUPAC5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C21H21ClF2N4O3S/c22-17-8-6-16(7-9-17)19-18(15-4-2-1-3-5-15)14-28(25-19)20(29)26-32(30,31)27-12-10-21(23,24)11-13-27/h1-9,18H,10-14H2,(H,26,29)
InChIKeyCJTMMMWOIXYRAL-UHFFFAOYSA-N
MW482.94 g/mol
LogP3.83
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 58349822) has the molecular formula C21H21ClF2N4O3S and a molecular weight of 482.94 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID58349822
Molecular FormulaC21H21ClF2N4O3S
Molecular Weight482.94 g/mol
Exact Mass482.10
IUPAC Name5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C21H21ClF2N4O3S/c22-17-8-6-16(7-9-17)19-18(15-4-2-1-3-5-15)14-28(25-19)20(29)26-32(30,31)27-12-10-21(23,24)11-13-27/h1-9,18H,10-14H2,(H,26,29)
InChIKeyCJTMMMWOIXYRAL-UHFFFAOYSA-N
XLogP3.83
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.94
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 58349822) is 5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(NS(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is CJTMMMWOIXYRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N4O3S/c22-17-8-6-16(7-9-17)19-18(15-4-2-1-3-5-15)14-28(25-19)20(29)26-32(30,31)27-12-10-21(23,24)11-13-27/h1-9,18H,10-14H2,(H,26,29).
What are the key properties of 5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-N-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 482.94 g/mol, XLogP of 3.83, 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-(4,4-difluoropiperidin-1-yl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 58349822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).