1-phenyl-4-(2-phenylethenylsulfonyl)piperazine

C18H20N2O2S — CID 877215

IUPAC1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
SMILESO=S(=O)(C=Cc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O2S/c21-23(22,16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-11,16H,12-15H2
InChIKeyXYBCMZZRRSHDFP-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.81
Rot. Bonds4

About 1-phenyl-4-(2-phenylethenylsulfonyl)piperazine

1-phenyl-4-(2-phenylethenylsulfonyl)piperazine (PubChem CID 877215) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-phenyl-4-(2-phenylethenylsulfonyl)piperazine.

Molecular Properties

Compound Name1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
PubChem CID877215
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
SMILESO=S(=O)(C=Cc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2O2S/c21-23(22,16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-11,16H,12-15H2
InChIKeyXYBCMZZRRSHDFP-UHFFFAOYSA-N
XLogP2.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-4-(2-phenylethenylsulfonyl)piperazine
CID 1192953
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
2-methyl-5-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-one
CID 30921011
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone
CID 60557462
3-cyclopentyl-7-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1,2,4,5-tetrahydro-3-benzazepine
CID 69452466
3-nitro-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]benzaldehyde
CID 9111565
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridine-3-carboxamide
CID 30756070
(2-methylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 51154227
1-(2-chloro-4-nitrophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
CID 7968443
1-(4-chloro-2-nitrophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
CID 26943113
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 36551467
(E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide
CID 34105825

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(2-phenylethenylsulfonyl)piperazine?
The IUPAC name of 1-phenyl-4-(2-phenylethenylsulfonyl)piperazine (CID 877215) is 1-phenyl-4-(2-phenylethenylsulfonyl)piperazine.
What is the SMILES notation for 1-phenyl-4-(2-phenylethenylsulfonyl)piperazine?
The canonical SMILES for 1-phenyl-4-(2-phenylethenylsulfonyl)piperazine is O=S(=O)(C=Cc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-4-(2-phenylethenylsulfonyl)piperazine?
The InChIKey is XYBCMZZRRSHDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-23(22,16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-11,16H,12-15H2.
What are the key properties of 1-phenyl-4-(2-phenylethenylsulfonyl)piperazine?
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine has a molecular weight of 328.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(2-phenylethenylsulfonyl)piperazine is sourced from PubChem (CID 877215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).