(1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

C22H24N2O3S — CID 29456874

IUPAC(1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C22H24N2O3S/c25-21(22(12-13-22)20-9-5-2-6-10-20)23-14-16-24(17-15-23)28(26,27)18-11-19-7-3-1-4-8-19/h1-11,18H,12-17H2/b18-11+
InChIKeyASSDLDHROKWAAX-WOJGMQOQSA-N
MW396.51 g/mol
LogP2.86
Rot. Bonds5

About (1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

(1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 29456874) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID29456874
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name(1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C22H24N2O3S/c25-21(22(12-13-22)20-9-5-2-6-10-20)23-14-16-24(17-15-23)28(26,27)18-11-19-7-3-1-4-8-19/h1-11,18H,12-17H2/b18-11+
InChIKeyASSDLDHROKWAAX-WOJGMQOQSA-N
XLogP2.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 51154227
ethyl 4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carboxylate
CID 737563
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
(2-bromophenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 26870461
2-ethoxy-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 9496780
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
[4-(benzenesulfonyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 39906268
(3-chlorophenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 8925154
(2-cyclopropyl-1,3-thiazol-5-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 86891303
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8748884
N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide
CID 75194953
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 26203857

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone (CID 29456874) is (1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone is O=C(N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is ASSDLDHROKWAAX-WOJGMQOQSA-N. The full InChI is InChI=1S/C22H24N2O3S/c25-21(22(12-13-22)20-9-5-2-6-10-20)23-14-16-24(17-15-23)28(26,27)18-11-19-7-3-1-4-8-19/h1-11,18H,12-17H2/b18-11+.
What are the key properties of (1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
(1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 396.51 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 29456874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).