N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide

C23H20Cl3FN2OS — CID 71176163

IUPACN-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide
SMILESO=S(NC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccc(F)cc1
InChIInChI=1S/C23H20Cl3FN2OS/c24-16-3-1-15(2-4-16)23-14-19(28-31(30)20-8-6-18(27)7-9-20)11-12-29(23)22-10-5-17(25)13-21(22)26/h1-10,13,19,23,28H,11-12,14H2
InChIKeyCALMYOJVHYPCLI-UHFFFAOYSA-N
MW497.85 g/mol
LogP6.81
Rot. Bonds5

About N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide

N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide (PubChem CID 71176163) has the molecular formula C23H20Cl3FN2OS and a molecular weight of 497.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide
PubChem CID71176163
Molecular FormulaC23H20Cl3FN2OS
Molecular Weight497.85 g/mol
Exact Mass496.03
IUPAC NameN-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide
SMILESO=S(NC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccc(F)cc1
InChIInChI=1S/C23H20Cl3FN2OS/c24-16-3-1-15(2-4-16)23-14-19(28-31(30)20-8-6-18(27)7-9-20)11-12-29(23)22-10-5-17(25)13-21(22)26/h1-10,13,19,23,28H,11-12,14H2
InChIKeyCALMYOJVHYPCLI-UHFFFAOYSA-N
XLogP6.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.85
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide (CID 71176163) is N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide is O=S(NC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide?
The InChIKey is CALMYOJVHYPCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl3FN2OS/c24-16-3-1-15(2-4-16)23-14-19(28-31(30)20-8-6-18(27)7-9-20)11-12-29(23)22-10-5-17(25)13-21(22)26/h1-10,13,19,23,28H,11-12,14H2.
What are the key properties of N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide?
N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide has a molecular weight of 497.85 g/mol, XLogP of 6.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-4-fluorobenzenesulfinamide is sourced from PubChem (CID 71176163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).