1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine

C19H24N2O3S — CID 120763268

IUPAC1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine
SMILESCCc1cccc(S(=O)(=O)N2CCNCC2c2ccccc2OC)c1
InChIInChI=1S/C19H24N2O3S/c1-3-15-7-6-8-16(13-15)25(22,23)21-12-11-20-14-18(21)17-9-4-5-10-19(17)24-2/h4-10,13,18,20H,3,11-12,14H2,1-2H3
InChIKeySTJBJWQPQLRGIB-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.59
Rot. Bonds5

About 1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine

1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine (PubChem CID 120763268) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine
PubChem CID120763268
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine
SMILESCCc1cccc(S(=O)(=O)N2CCNCC2c2ccccc2OC)c1
InChIInChI=1S/C19H24N2O3S/c1-3-15-7-6-8-16(13-15)25(22,23)21-12-11-20-14-18(21)17-9-4-5-10-19(17)24-2/h4-10,13,18,20H,3,11-12,14H2,1-2H3
InChIKeySTJBJWQPQLRGIB-UHFFFAOYSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 120763445
5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride
CID 120763116
N,N-diethyl-2-(2-methoxyphenyl)piperazine-1-sulfonamide;hydrochloride
CID 120763279
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 120754221
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763016
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide;hydrochloride
CID 120763352
2-(2-methoxyphenyl)-1-[(3-nitrophenyl)methylsulfonyl]piperazine;hydrochloride
CID 120763348
1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763415

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine (CID 120763268) is 1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine is CCc1cccc(S(=O)(=O)N2CCNCC2c2ccccc2OC)c1.
What is the InChIKey of 1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine?
The InChIKey is STJBJWQPQLRGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-15-7-6-8-16(13-15)25(22,23)21-12-11-20-14-18(21)17-9-4-5-10-19(17)24-2/h4-10,13,18,20H,3,11-12,14H2,1-2H3.
What are the key properties of 1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine?
1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine has a molecular weight of 360.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 120763268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).