cyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

C18H26N2O4S — CID 1078633

IUPACcyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-24-16-7-9-17(10-8-16)25(22,23)20-13-11-19(12-14-20)18(21)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3
InChIKeyLHPNVAXTYLPUHU-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.11
Rot. Bonds4

About cyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

cyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 1078633) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is cyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID1078633
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Namecyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C18H26N2O4S/c1-24-16-7-9-17(10-8-16)25(22,23)20-13-11-19(12-14-20)18(21)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3
InChIKeyLHPNVAXTYLPUHU-UHFFFAOYSA-N
XLogP2.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 1078633) is cyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of cyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is LHPNVAXTYLPUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-24-16-7-9-17(10-8-16)25(22,23)20-13-11-19(12-14-20)18(21)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3.
What are the key properties of cyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
cyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 366.48 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 1078633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).