1-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

C18H26Cl2N2O2S — CID 118308438

IUPAC1-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c(Cl)cc1Cl
InChIInChI=1S/C18H26Cl2N2O2S/c1-13-3-7-21(8-4-13)15-5-9-22(10-6-15)25(23,24)18-11-14(2)16(19)12-17(18)20/h11-13,15H,3-10H2,1-2H3
InChIKeyRJRQAXSEGPCSCI-UHFFFAOYSA-N
MW405.39 g/mol
LogP4.19
Rot. Bonds3

About 1-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine

1-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (PubChem CID 118308438) has the molecular formula C18H26Cl2N2O2S and a molecular weight of 405.39 g/mol. Its IUPAC name is 1-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
PubChem CID118308438
Molecular FormulaC18H26Cl2N2O2S
Molecular Weight405.39 g/mol
Exact Mass404.11
IUPAC Name1-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c(Cl)cc1Cl
InChIInChI=1S/C18H26Cl2N2O2S/c1-13-3-7-21(8-4-13)15-5-9-22(10-6-15)25(23,24)18-11-14(2)16(19)12-17(18)20/h11-13,15H,3-10H2,1-2H3
InChIKeyRJRQAXSEGPCSCI-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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine (CID 118308438) is 1-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is Cc1cc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)c(Cl)cc1Cl.
What is the InChIKey of 1-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The InChIKey is RJRQAXSEGPCSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O2S/c1-13-3-7-21(8-4-13)15-5-9-22(10-6-15)25(23,24)18-11-14(2)16(19)12-17(18)20/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
1-[1-(2,4-dichloro-5-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-5-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 118308438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).