1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine

C19H23ClN2O3S — CID 36839234

IUPAC1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2O3S/c1-25-19-5-3-2-4-18(19)22-12-10-21(11-13-22)14-15-26(23,24)17-8-6-16(20)7-9-17/h2-9H,10-15H2,1H3
InChIKeyFEGKBUUARMLGTF-UHFFFAOYSA-N
MW394.92 g/mol
LogP2.94
Rot. Bonds6

About 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine

1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 36839234) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine
PubChem CID36839234
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2O3S/c1-25-19-5-3-2-4-18(19)22-12-10-21(11-13-22)14-15-26(23,24)17-8-6-16(20)7-9-17/h2-9H,10-15H2,1H3
InChIKeyFEGKBUUARMLGTF-UHFFFAOYSA-N
XLogP2.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 31338508
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine
CID 39746922
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268780
5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide
CID 42388721
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[2-(benzenesulfonyl)ethyl]-4-(2,3-dimethylphenyl)piperazine
CID 51170901
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 29344564
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 42267853

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine (CID 36839234) is 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is FEGKBUUARMLGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-25-19-5-3-2-4-18(19)22-12-10-21(11-13-22)14-15-26(23,24)17-8-6-16(20)7-9-17/h2-9H,10-15H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine?
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 394.92 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 36839234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).