1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine

C14H20ClNO2S — CID 2897670

IUPAC1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine
SMILESCc1cc(S(=O)(=O)N2C(C)CCCC2C)ccc1Cl
InChIInChI=1S/C14H20ClNO2S/c1-10-9-13(7-8-14(10)15)19(17,18)16-11(2)5-4-6-12(16)3/h7-9,11-12H,4-6H2,1-3H3
InChIKeyXYQINPUVMQRLOD-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.60
Rot. Bonds2

About 1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine

1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine (PubChem CID 2897670) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine
PubChem CID2897670
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine
SMILESCc1cc(S(=O)(=O)N2C(C)CCCC2C)ccc1Cl
InChIInChI=1S/C14H20ClNO2S/c1-10-9-13(7-8-14(10)15)19(17,18)16-11(2)5-4-6-12(16)3/h7-9,11-12H,4-6H2,1-3H3
InChIKeyXYQINPUVMQRLOD-UHFFFAOYSA-N
XLogP3.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Benzyl-1-[(4-chlorophenyl)sulfonyl]piperidine
CID 710407
4-Chloro-N-methyl-N-(1-methyl-piperidin-4-yl)-benzenesulfonamide
CID 1129292
1-[(2-Chlorobenzyl)sulfonyl]piperidine
CID 714986
1-[(4-Chlorophenyl)sulfonyl]-3-methylpiperidine
CID 2842964
Piperidine, 1-[[(2-chlorophenyl)methyl]sulfonyl]-4-methyl-
CID 715211
1-(4-Chlorophenylsulfonyl)-4-methylpiperidine
CID 310129
Rac-(cis)-1-(4-chlorophenylsulfonyl)-2,6-dimethylpiperidine
CID 822847
1-(4-Chlorophenyl)sulfonyl-2-phenylpiperidine
CID 46884324
1-[1-(4-Chlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308437
1'-((2,4-Dichloro-5-methylphenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308438
1-[1-[4-Chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146666937
1-(4-Chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2842536

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine (CID 2897670) is 1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine is Cc1cc(S(=O)(=O)N2C(C)CCCC2C)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine?
The InChIKey is XYQINPUVMQRLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-10-9-13(7-8-14(10)15)19(17,18)16-11(2)5-4-6-12(16)3/h7-9,11-12H,4-6H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine?
1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine has a molecular weight of 301.84 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylpiperidine is sourced from PubChem (CID 2897670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).