1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine

C20H25ClN2O3S — CID 91669996

IUPAC1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine
SMILESCCc1ccc(OC)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c1
InChIInChI=1S/C20H25ClN2O3S/c1-4-16-8-9-19(26-3)20(14-16)27(24,25)23-12-10-22(11-13-23)18-7-5-6-17(21)15(18)2/h5-9,14H,4,10-13H2,1-3H3
InChIKeyZDYHYPWCMZNSCM-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.73
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine

1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine (PubChem CID 91669996) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine
PubChem CID91669996
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine
SMILESCCc1ccc(OC)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c1
InChIInChI=1S/C20H25ClN2O3S/c1-4-16-8-9-19(26-3)20(14-16)27(24,25)23-12-10-22(11-13-23)18-7-5-6-17(21)15(18)2/h5-9,14H,4,10-13H2,1-3H3
InChIKeyZDYHYPWCMZNSCM-UHFFFAOYSA-N
XLogP3.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
1-(3-chloro-2-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1178575
1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 2211092
1-(2,3-dimethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 1260959
1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 16644832
1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine
CID 91670016
ethyl 4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6460333
1-(4-ethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 34117918
1-[4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110818000
1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 113076732
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)methanone
CID 18892270
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 2209348

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine (CID 91669996) is 1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine is CCc1ccc(OC)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3C)CC2)c1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine?
The InChIKey is ZDYHYPWCMZNSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-4-16-8-9-19(26-3)20(14-16)27(24,25)23-12-10-22(11-13-23)18-7-5-6-17(21)15(18)2/h5-9,14H,4,10-13H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine?
1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine has a molecular weight of 408.95 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 91669996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).