1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine

C19H24N2O3S — CID 31338508

IUPAC1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H24N2O3S/c1-24-19-10-6-5-9-18(19)21-13-11-20(12-14-21)15-16-25(22,23)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyNOZZZRZVAPXIDS-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.29
Rot. Bonds6

About 1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine

1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 31338508) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
PubChem CID31338508
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H24N2O3S/c1-24-19-10-6-5-9-18(19)21-13-11-20(12-14-21)15-16-25(22,23)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyNOZZZRZVAPXIDS-UHFFFAOYSA-N
XLogP2.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine
CID 36839234
1-[2-(benzenesulfonyl)ethyl]-4-(2,3-dimethylphenyl)piperazine
CID 51170901
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 29344564
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-[2-(benzenesulfonyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 33071081
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfonyl]-2,3-dihydroindole
CID 22058044
2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 42267824
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine (CID 31338508) is 1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CCS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is NOZZZRZVAPXIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-24-19-10-6-5-9-18(19)21-13-11-20(12-14-21)15-16-25(22,23)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3.
What are the key properties of 1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine?
1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 360.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 31338508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).