1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine

C20H28ClN3O4S2 — CID 3857418

IUPAC1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine
SMILESCCS(=O)(=O)CCn1ccnc1C1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1
InChIInChI=1S/C20H28ClN3O4S2/c1-4-29(25,26)12-11-23-10-7-22-20(23)17-5-8-24(9-6-17)30(27,28)19-14-15(2)18(21)13-16(19)3/h7,10,13-14,17H,4-6,8-9,11-12H2,1-3H3
InChIKeyZWGRSYAEKXJVGE-UHFFFAOYSA-N
MW474.05 g/mol
LogP3.16
Rot. Bonds7

About 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine

1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine (PubChem CID 3857418) has the molecular formula C20H28ClN3O4S2 and a molecular weight of 474.05 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine
PubChem CID3857418
Molecular FormulaC20H28ClN3O4S2
Molecular Weight474.05 g/mol
Exact Mass473.12
IUPAC Name1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine
SMILESCCS(=O)(=O)CCn1ccnc1C1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1
InChIInChI=1S/C20H28ClN3O4S2/c1-4-29(25,26)12-11-23-10-7-22-20(23)17-5-8-24(9-6-17)30(27,28)19-14-15(2)18(21)13-16(19)3/h7,10,13-14,17H,4-6,8-9,11-12H2,1-3H3
InChIKeyZWGRSYAEKXJVGE-UHFFFAOYSA-N
XLogP3.16
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.05
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine?
The IUPAC name of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine (CID 3857418) is 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine?
The canonical SMILES for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine is CCS(=O)(=O)CCn1ccnc1C1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1.
What is the InChIKey of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine?
The InChIKey is ZWGRSYAEKXJVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O4S2/c1-4-29(25,26)12-11-23-10-7-22-20(23)17-5-8-24(9-6-17)30(27,28)19-14-15(2)18(21)13-16(19)3/h7,10,13-14,17H,4-6,8-9,11-12H2,1-3H3.
What are the key properties of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine?
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine has a molecular weight of 474.05 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 3857418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).