1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine

C17H26ClN3O2S — CID 1433360

IUPAC1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCC(N3CCN(C)CC3)CC2)cc1Cl
InChIInChI=1S/C17H26ClN3O2S/c1-14-3-4-16(13-17(14)18)24(22,23)21-7-5-15(6-8-21)20-11-9-19(2)10-12-20/h3-4,13,15H,5-12H2,1-2H3
InChIKeyIVRGLVBQTOAEGU-UHFFFAOYSA-N
MW371.93 g/mol
LogP2.05
Rot. Bonds3

About 1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine

1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine (PubChem CID 1433360) has the molecular formula C17H26ClN3O2S and a molecular weight of 371.93 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine
PubChem CID1433360
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.93 g/mol
Exact Mass371.14
IUPAC Name1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCC(N3CCN(C)CC3)CC2)cc1Cl
InChIInChI=1S/C17H26ClN3O2S/c1-14-3-4-16(13-17(14)18)24(22,23)21-7-5-15(6-8-21)20-11-9-19(2)10-12-20/h3-4,13,15H,5-12H2,1-2H3
InChIKeyIVRGLVBQTOAEGU-UHFFFAOYSA-N
XLogP2.05
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine (CID 1433360) is 1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine is Cc1ccc(S(=O)(=O)N2CCC(N3CCN(C)CC3)CC2)cc1Cl.
What is the InChIKey of 1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
The InChIKey is IVRGLVBQTOAEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2S/c1-14-3-4-16(13-17(14)18)24(22,23)21-7-5-15(6-8-21)20-11-9-19(2)10-12-20/h3-4,13,15H,5-12H2,1-2H3.
What are the key properties of 1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine has a molecular weight of 371.93 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 1433360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).