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

C24H23Cl3N2OS — CID 143508644

IUPACN-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide
SMILESO=S(Cc1ccccc1)NC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H23Cl3N2OS/c25-19-8-6-18(7-9-19)24-15-21(28-31(30)16-17-4-2-1-3-5-17)12-13-29(24)23-11-10-20(26)14-22(23)27/h1-11,14,21,24,28H,12-13,15-16H2
InChIKeyUKDVVABMNCVRBH-UHFFFAOYSA-N
MW493.89 g/mol
LogP6.81
Rot. Bonds6

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

N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide (PubChem CID 143508644) has the molecular formula C24H23Cl3N2OS and a molecular weight of 493.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide
PubChem CID143508644
Molecular FormulaC24H23Cl3N2OS
Molecular Weight493.89 g/mol
Exact Mass492.06
IUPAC NameN-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide
SMILESO=S(Cc1ccccc1)NC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C24H23Cl3N2OS/c25-19-8-6-18(7-9-19)24-15-21(28-31(30)16-17-4-2-1-3-5-17)12-13-29(24)23-11-10-20(26)14-22(23)27/h1-11,14,21,24,28H,12-13,15-16H2
InChIKeyUKDVVABMNCVRBH-UHFFFAOYSA-N
XLogP6.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.89
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]-1-phenylmethanesulfinamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide (CID 143508644) is N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide is O=S(Cc1ccccc1)NC1CCN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide?
The InChIKey is UKDVVABMNCVRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N2OS/c25-19-8-6-18(7-9-19)24-15-21(28-31(30)16-17-4-2-1-3-5-17)12-13-29(24)23-11-10-20(26)14-22(23)27/h1-11,14,21,24,28H,12-13,15-16H2.
What are the key properties of N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide?
N-[2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-yl]-1-phenylmethanesulfinamide has a molecular weight of 493.89 g/mol, XLogP of 6.81, 6 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]-1-phenylmethanesulfinamide is sourced from PubChem (CID 143508644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).