1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine

C22H27ClN2O2S — CID 1260990

IUPAC1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H27ClN2O2S/c23-20-7-4-8-21(17-20)24-13-15-25(16-14-24)28(26,27)22-11-9-19(10-12-22)18-5-2-1-3-6-18/h4,7-12,17-18H,1-3,5-6,13-16H2
InChIKeyQQPDMRWVSTXYRD-UHFFFAOYSA-N
MW418.99 g/mol
LogP4.90
Rot. Bonds4

About 1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine

1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine (PubChem CID 1260990) has the molecular formula C22H27ClN2O2S and a molecular weight of 418.99 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
PubChem CID1260990
Molecular FormulaC22H27ClN2O2S
Molecular Weight418.99 g/mol
Exact Mass418.15
IUPAC Name1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H27ClN2O2S/c23-20-7-4-8-21(17-20)24-13-15-25(16-14-24)28(26,27)22-11-9-19(10-12-22)18-5-2-1-3-6-18/h4,7-12,17-18H,1-3,5-6,13-16H2
InChIKeyQQPDMRWVSTXYRD-UHFFFAOYSA-N
XLogP4.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.99
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
CID 1178572
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1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
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1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
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1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
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4-(3-chlorophenyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 46566639
1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 9282287
5-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-nitroaniline
CID 2979335
4-(4-cyclohexylphenyl)sulfonylthiomorpholine
CID 171989503
1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
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CID 17372732

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine (CID 1260990) is 1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine is O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine?
The InChIKey is QQPDMRWVSTXYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2S/c23-20-7-4-8-21(17-20)24-13-15-25(16-14-24)28(26,27)22-11-9-19(10-12-22)18-5-2-1-3-6-18/h4,7-12,17-18H,1-3,5-6,13-16H2.
What are the key properties of 1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine?
1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine has a molecular weight of 418.99 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine is sourced from PubChem (CID 1260990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).