1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine

C22H24ClN3O2S — CID 90494589

IUPAC1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C22H24ClN3O2S/c1-17-7-8-20(23)15-21(17)29(27,28)26-12-9-18(10-13-26)16-25-14-11-24-22(25)19-5-3-2-4-6-19/h2-8,11,14-15,18H,9-10,12-13,16H2,1H3
InChIKeyCOJQXRFESHPQLS-UHFFFAOYSA-N
MW429.97 g/mol
LogP4.61
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine

1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine (PubChem CID 90494589) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine
PubChem CID90494589
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC Name1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C22H24ClN3O2S/c1-17-7-8-20(23)15-21(17)29(27,28)26-12-9-18(10-13-26)16-25-14-11-24-22(25)19-5-3-2-4-6-19/h2-8,11,14-15,18H,9-10,12-13,16H2,1H3
InChIKeyCOJQXRFESHPQLS-UHFFFAOYSA-N
XLogP4.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-2-ylsulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine
CID 90494567
1-(5-chloro-2-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534079
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[(2-ethylimidazol-1-yl)methyl]piperidine
CID 90494146
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
4-[(2-methylimidazol-1-yl)methyl]-1-(2-nitrophenyl)sulfonylpiperidine
CID 90494802
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971677
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine
CID 90559434
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597276
1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493512

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine (CID 90494589) is 1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine is Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(Cn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine?
The InChIKey is COJQXRFESHPQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-17-7-8-20(23)15-21(17)29(27,28)26-12-9-18(10-13-26)16-25-14-11-24-22(25)19-5-3-2-4-6-19/h2-8,11,14-15,18H,9-10,12-13,16H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine?
1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine has a molecular weight of 429.97 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 90494589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).