4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine

C18H20ClNO2S — CID 75025080

IUPAC4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(Cl)CC2c2ccccc2)cc1
InChIInChI=1S/C18H20ClNO2S/c1-14-7-9-17(10-8-14)23(21,22)20-12-11-16(19)13-18(20)15-5-3-2-4-6-15/h2-10,16,18H,11-13H2,1H3
InChIKeyUYABPBHAHLHZID-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.13
Rot. Bonds3

About 4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine

4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine (PubChem CID 75025080) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is 4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine.

Molecular Properties

Compound Name4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
PubChem CID75025080
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(Cl)CC2c2ccccc2)cc1
InChIInChI=1S/C18H20ClNO2S/c1-14-7-9-17(10-8-14)23(21,22)20-12-11-16(19)13-18(20)15-5-3-2-4-6-15/h2-10,16,18H,11-13H2,1H3
InChIKeyUYABPBHAHLHZID-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
1,3-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,3-diazinane
CID 164682661
(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
CID 102484859
N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 102416693
(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
CID 11067091
2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682677
2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682679
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 146469231
trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane
CID 101395837
1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one
CID 86002564
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 162399175

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine?
The IUPAC name of 4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine (CID 75025080) is 4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine.
What is the SMILES notation for 4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine?
The canonical SMILES for 4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(Cl)CC2c2ccccc2)cc1.
What is the InChIKey of 4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine?
The InChIKey is UYABPBHAHLHZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-14-7-9-17(10-8-14)23(21,22)20-12-11-16(19)13-18(20)15-5-3-2-4-6-15/h2-10,16,18H,11-13H2,1H3.
What are the key properties of 4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine?
4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine has a molecular weight of 349.88 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine is sourced from PubChem (CID 75025080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).