1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine

C23H30N2O2S — CID 1361133

IUPAC1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H30N2O2S/c1-19-7-13-23(14-8-19)28(26,27)25-17-15-24(16-18-25)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h2-8,13-14,21-22H,9-12,15-18H2,1H3
InChIKeyHQFKMLYKKCPPSI-UHFFFAOYSA-N
MW398.57 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine

1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine (PubChem CID 1361133) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine
PubChem CID1361133
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H30N2O2S/c1-19-7-13-23(14-8-19)28(26,27)25-17-15-24(16-18-25)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h2-8,13-14,21-22H,9-12,15-18H2,1H3
InChIKeyHQFKMLYKKCPPSI-UHFFFAOYSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine (CID 1361133) is 1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine is Cc1ccc(S(=O)(=O)N2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine?
The InChIKey is HQFKMLYKKCPPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-19-7-13-23(14-8-19)28(26,27)25-17-15-24(16-18-25)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h2-8,13-14,21-22H,9-12,15-18H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine?
1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine has a molecular weight of 398.57 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazine is sourced from PubChem (CID 1361133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).