(NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide

C23H25ClF2N4O2S — CID 58298407

IUPAC(NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide
SMILESCC/C(=N/S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C23H25ClF2N4O2S/c1-2-21(28-33(31,32)29-14-12-23(25,26)13-15-29)30-16-20(17-6-4-3-5-7-17)22(27-30)18-8-10-19(24)11-9-18/h3-11,20H,2,12-16H2,1H3/b28-21-
InChIKeyAWCAWMAHBUZHGO-HFTWOUSFSA-N
MW495.00 g/mol
LogP4.93
Rot. Bonds5

About (NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide

(NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide (PubChem CID 58298407) has the molecular formula C23H25ClF2N4O2S and a molecular weight of 495.00 g/mol. Its IUPAC name is (NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide.

Molecular Properties

Compound Name(NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide
PubChem CID58298407
Molecular FormulaC23H25ClF2N4O2S
Molecular Weight495.00 g/mol
Exact Mass494.14
IUPAC Name(NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide
SMILESCC/C(=N/S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C23H25ClF2N4O2S/c1-2-21(28-33(31,32)29-14-12-23(25,26)13-15-29)30-16-20(17-6-4-3-5-7-17)22(27-30)18-8-10-19(24)11-9-18/h3-11,20H,2,12-16H2,1H3/b28-21-
InChIKeyAWCAWMAHBUZHGO-HFTWOUSFSA-N
XLogP4.93
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide?
The IUPAC name of (NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide (CID 58298407) is (NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide.
What is the SMILES notation for (NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide?
The canonical SMILES for (NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide is CC/C(=N/S(=O)(=O)N1CCC(F)(F)CC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of (NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide?
The InChIKey is AWCAWMAHBUZHGO-HFTWOUSFSA-N. The full InChI is InChI=1S/C23H25ClF2N4O2S/c1-2-21(28-33(31,32)29-14-12-23(25,26)13-15-29)30-16-20(17-6-4-3-5-7-17)22(27-30)18-8-10-19(24)11-9-18/h3-11,20H,2,12-16H2,1H3/b28-21-.
What are the key properties of (NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide?
(NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide has a molecular weight of 495.00 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]propylidene]-4,4-difluoropiperidine-1-sulfonamide is sourced from PubChem (CID 58298407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).