1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

C18H26Cl2N2O2S — CID 118308369

IUPAC1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1
InChIInChI=1S/C18H26Cl2N2O2S/c1-13-3-7-21(8-4-13)16-5-9-22(10-6-16)25(23,24)18-14(2)11-15(19)12-17(18)20/h11-13,16H,3-10H2,1-2H3
InChIKeyBUPQCAQGFKXUCT-UHFFFAOYSA-N
MW405.39 g/mol
LogP4.19
Rot. Bonds3

About 1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (PubChem CID 118308369) has the molecular formula C18H26Cl2N2O2S and a molecular weight of 405.39 g/mol. Its IUPAC name is 1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
PubChem CID118308369
Molecular FormulaC18H26Cl2N2O2S
Molecular Weight405.39 g/mol
Exact Mass404.11
IUPAC Name1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1
InChIInChI=1S/C18H26Cl2N2O2S/c1-13-3-7-21(8-4-13)16-5-9-22(10-6-16)25(23,24)18-14(2)11-15(19)12-17(18)20/h11-13,16H,3-10H2,1-2H3
InChIKeyBUPQCAQGFKXUCT-UHFFFAOYSA-N
XLogP4.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,4-Dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627877
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-(3,5-Dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138627956
3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-7-((2-chloro-6-methylphenyl)sulfonyl)-9,9-dimethyl-
CID 3078258
(1S*,5R*)-6-[(2-chloro-6-methylphenyl)sulfonyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane
CID 133114693
1-[1-[2-Chloro-6-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984287
4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 134018860
N-[2-(3-chlorophenyl)-4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-N-methylbenzenesulfonamide;hydrochloride
CID 23285231
1-[3-[(2S)-1-(2-chloro-6-methylphenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 59367753
1-[3-[1-(2-Chloro-6-methylphenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 66754918
4-chloro-N,2,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]benzenesulfonamide
CID 69421048

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (CID 118308369) is 1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is Cc1cc(Cl)cc(Cl)c1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1.
What is the InChIKey of 1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The InChIKey is BUPQCAQGFKXUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O2S/c1-13-3-7-21(8-4-13)16-5-9-22(10-6-16)25(23,24)18-14(2)11-15(19)12-17(18)20/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine has a molecular weight of 405.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 118308369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).