1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine

C19H23ClN2O3S — CID 113075861

IUPAC1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
SMILESCCc1ccccc1N1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C19H23ClN2O3S/c1-3-15-6-4-5-7-18(15)21-10-12-22(13-11-21)26(23,24)16-8-9-19(25-2)17(20)14-16/h4-9,14H,3,10-13H2,1-2H3
InChIKeyIZNZZWKLPJIGGU-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.42
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine

1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine (PubChem CID 113075861) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
PubChem CID113075861
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
SMILESCCc1ccccc1N1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1
InChIInChI=1S/C19H23ClN2O3S/c1-3-15-6-4-5-7-18(15)21-10-12-22(13-11-21)26(23,24)16-8-9-19(25-2)17(20)14-16/h4-9,14H,3,10-13H2,1-2H3
InChIKeyIZNZZWKLPJIGGU-UHFFFAOYSA-N
XLogP3.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
CID 1255328
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 86959908
1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine
CID 9030930
1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113077144
4-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine
CID 1254760
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine
CID 45366340
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(3,4-dimethylphenyl)piperazine
CID 113075565
1-(3-chloro-2-methylphenyl)-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 2211092
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine
CID 91670186
1-(2-ethylphenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 91669823

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine (CID 113075861) is 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine is CCc1ccccc1N1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine?
The InChIKey is IZNZZWKLPJIGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-3-15-6-4-5-7-18(15)21-10-12-22(13-11-21)26(23,24)16-8-9-19(25-2)17(20)14-16/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine?
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine has a molecular weight of 394.92 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine is sourced from PubChem (CID 113075861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).