1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine

C19H22N2O3S — CID 1417541

IUPAC1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H22N2O3S/c1-24-19-10-6-5-9-18(19)20-12-14-21(15-13-20)25(22,23)16-11-17-7-3-2-4-8-17/h2-11,16H,12-15H2,1H3/b16-11+
InChIKeyKYKJMLWRXOGCQO-LFIBNONCSA-N
MW358.46 g/mol
LogP2.82
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine

1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine (PubChem CID 1417541) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
PubChem CID1417541
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H22N2O3S/c1-24-19-10-6-5-9-18(19)20-12-14-21(15-13-20)25(22,23)16-11-17-7-3-2-4-8-17/h2-11,16H,12-15H2,1H3/b16-11+
InChIKeyKYKJMLWRXOGCQO-LFIBNONCSA-N
XLogP2.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
1-((2,6-Dimethylphenoxy)propyl)-4-(2-methoxyphenyl)piperazine hydrochloride
CID 54598062
1-(2-Methoxyphenyl)-4-pentylpiperazine
CID 10422832
2-Methoxyfentanyl
CID 12741853
5-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 10505579
N-(5-iodo-2-methylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940101
4-methoxy-3-piperazin-1-yl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 17940224
1-(2-Methoxyphenyl)-4-(4-phenylbutyl)piperazine
CID 44276571
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
1-[3-(3,4-Dihydro-naphthalen-1-yl)-propyl]-4-(2-methoxy-phenyl)-piperazine
CID 10316605
rac-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784696

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine (CID 1417541) is 1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine is COc1ccccc1N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
The InChIKey is KYKJMLWRXOGCQO-LFIBNONCSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-24-19-10-6-5-9-18(19)20-12-14-21(15-13-20)25(22,23)16-11-17-7-3-2-4-8-17/h2-11,16H,12-15H2,1H3/b16-11+.
What are the key properties of 1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine?
1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine has a molecular weight of 358.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine is sourced from PubChem (CID 1417541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).