1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

C17H24Cl2N2O2S — CID 138627956

IUPAC1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1
InChIInChI=1S/C17H24Cl2N2O2S/c1-13-2-6-20(7-3-13)16-4-8-21(9-5-16)24(22,23)17-11-14(18)10-15(19)12-17/h10-13,16H,2-9H2,1H3
InChIKeySOQJJEKQOKOAJQ-UHFFFAOYSA-N
MW391.36 g/mol
LogP3.88
Rot. Bonds3

About 1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (PubChem CID 138627956) has the molecular formula C17H24Cl2N2O2S and a molecular weight of 391.36 g/mol. Its IUPAC name is 1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
PubChem CID138627956
Molecular FormulaC17H24Cl2N2O2S
Molecular Weight391.36 g/mol
Exact Mass390.09
IUPAC Name1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1
InChIInChI=1S/C17H24Cl2N2O2S/c1-13-2-6-20(7-3-13)16-4-8-21(9-5-16)24(22,23)17-11-14(18)10-15(19)12-17/h10-13,16H,2-9H2,1H3
InChIKeySOQJJEKQOKOAJQ-UHFFFAOYSA-N
XLogP3.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-((2,4-Dichloro-6-methylphenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308369
1-[1-(2,4-Dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627877
3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
CID 10715573
1-[1-(3,4-Dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308371
4-Methyl-1'-(phenylsulfonyl)-1,4'-bipiperidine
CID 118308417
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-Bromo-3-chlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 141659838
(R)-1-(2-(1-(3,4-Dichloro-benzene sulfonyl)-pyrrolidin-2-yl)-ethyl)-4-methyl piperidine
CID 10835110
1-[2-[(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 44368732
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
1-[1-(3-Chlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138627959

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (CID 138627956) is 1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is CC1CCN(C2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)CC1.
What is the InChIKey of 1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The InChIKey is SOQJJEKQOKOAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2S/c1-13-2-6-20(7-3-13)16-4-8-21(9-5-16)24(22,23)17-11-14(18)10-15(19)12-17/h10-13,16H,2-9H2,1H3.
What are the key properties of 1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine has a molecular weight of 391.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 138627956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).