1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine

C17H22ClN3O2S — CID 72837508

IUPAC1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCC(C)n1ccnc1C1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C17H22ClN3O2S/c1-13(2)21-11-9-19-17(21)14-6-5-10-20(12-14)24(22,23)16-8-4-3-7-15(16)18/h3-4,7-9,11,13-14H,5-6,10,12H2,1-2H3
InChIKeySIHAZPVPZAYUHW-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.69
Rot. Bonds4

About 1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine

1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine (PubChem CID 72837508) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
PubChem CID72837508
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCC(C)n1ccnc1C1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C17H22ClN3O2S/c1-13(2)21-11-9-19-17(21)14-6-5-10-20(12-14)24(22,23)16-8-4-3-7-15(16)18/h3-4,7-9,11,13-14H,5-6,10,12H2,1-2H3
InChIKeySIHAZPVPZAYUHW-UHFFFAOYSA-N
XLogP3.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine (CID 72837508) is 1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine is CC(C)n1ccnc1C1CCCN(S(=O)(=O)c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine?
The InChIKey is SIHAZPVPZAYUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-13(2)21-11-9-19-17(21)14-6-5-10-20(12-14)24(22,23)16-8-4-3-7-15(16)18/h3-4,7-9,11,13-14H,5-6,10,12H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine?
1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine has a molecular weight of 367.90 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-3-(1-propan-2-ylimidazol-2-yl)piperidine is sourced from PubChem (CID 72837508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).