1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine

C17H22ClN3O2S — CID 72869354

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine
SMILESCCn1ccnc1C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClN3O2S/c1-2-20-12-9-19-17(20)15-7-10-21(11-8-15)24(22,23)13-14-3-5-16(18)6-4-14/h3-6,9,12,15H,2,7-8,10-11,13H2,1H3
InChIKeyGPDKYMGDXOKBEE-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.27
Rot. Bonds5

About 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine

1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine (PubChem CID 72869354) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine
PubChem CID72869354
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine
SMILESCCn1ccnc1C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClN3O2S/c1-2-20-12-9-19-17(20)15-7-10-21(11-8-15)24(22,23)13-14-3-5-16(18)6-4-14/h3-6,9,12,15H,2,7-8,10-11,13H2,1H3
InChIKeyGPDKYMGDXOKBEE-UHFFFAOYSA-N
XLogP3.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725892
4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 70743543
2-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]pyrimidine
CID 2738375
1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 71781160
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine
CID 72924987
1-[(4-chlorophenyl)methylsulfonyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 30392834
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine
CID 3857418
4-[(4-chlorophenyl)methylsulfonyl]-7-thiophen-2-yl-1,4-thiazepane
CID 90633092
1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 100568439
4-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine
CID 25287129

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine (CID 72869354) is 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine is CCn1ccnc1C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine?
The InChIKey is GPDKYMGDXOKBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-2-20-12-9-19-17(20)15-7-10-21(11-8-15)24(22,23)13-14-3-5-16(18)6-4-14/h3-6,9,12,15H,2,7-8,10-11,13H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine?
1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine has a molecular weight of 367.90 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine is sourced from PubChem (CID 72869354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).