1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine

C18H23Cl2N3O2S — CID 90494146

IUPAC1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine
SMILESCCc1nccn1CC1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)CC1
InChIInChI=1S/C18H23Cl2N3O2S/c1-3-18-21-6-9-22(18)12-14-4-7-23(8-5-14)26(24,25)17-10-13(2)15(19)11-16(17)20/h6,9-11,14H,3-5,7-8,12H2,1-2H3
InChIKeyBHGUJHYXTUGFDE-UHFFFAOYSA-N
MW416.37 g/mol
LogP4.16
Rot. Bonds5

About 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine

1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine (PubChem CID 90494146) has the molecular formula C18H23Cl2N3O2S and a molecular weight of 416.37 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine
PubChem CID90494146
Molecular FormulaC18H23Cl2N3O2S
Molecular Weight416.37 g/mol
Exact Mass415.09
IUPAC Name1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine
SMILESCCc1nccn1CC1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)CC1
InChIInChI=1S/C18H23Cl2N3O2S/c1-3-18-21-6-9-22(18)12-14-4-7-23(8-5-14)26(24,25)17-10-13(2)15(19)11-16(17)20/h6,9-11,14H,3-5,7-8,12H2,1-2H3
InChIKeyBHGUJHYXTUGFDE-UHFFFAOYSA-N
XLogP4.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine (CID 90494146) is 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine is CCc1nccn1CC1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine?
The InChIKey is BHGUJHYXTUGFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2S/c1-3-18-21-6-9-22(18)12-14-4-7-23(8-5-14)26(24,25)17-10-13(2)15(19)11-16(17)20/h6,9-11,14H,3-5,7-8,12H2,1-2H3.
What are the key properties of 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine?
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine has a molecular weight of 416.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 90494146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).