(2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine

C18H20ClNO2S — CID 852194

IUPAC(2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2S/c1-14-4-2-3-13-20(14)23(21,22)18-11-7-16(8-12-18)15-5-9-17(19)10-6-15/h5-12,14H,2-4,13H2,1H3/t14-/m0/s1
InChIKeyRDBLCGJCGFWABY-AWEZNQCLSA-N
MW349.88 g/mol
LogP4.57
Rot. Bonds3

About (2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine

(2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine (PubChem CID 852194) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is (2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine
PubChem CID852194
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name(2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNO2S/c1-14-4-2-3-13-20(14)23(21,22)18-11-7-16(8-12-18)15-5-9-17(19)10-6-15/h5-12,14H,2-4,13H2,1H3/t14-/m0/s1
InChIKeyRDBLCGJCGFWABY-AWEZNQCLSA-N
XLogP4.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine?
The IUPAC name of (2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine (CID 852194) is (2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine.
What is the SMILES notation for (2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine?
The canonical SMILES for (2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine is C[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine?
The InChIKey is RDBLCGJCGFWABY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-14-4-2-3-13-20(14)23(21,22)18-11-7-16(8-12-18)15-5-9-17(19)10-6-15/h5-12,14H,2-4,13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine?
(2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine has a molecular weight of 349.88 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine is sourced from PubChem (CID 852194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).