1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine

C20H24Cl2N2O3S — CID 1287876

IUPAC1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1C
InChIInChI=1S/C20H24Cl2N2O3S/c1-4-27-19-11-15(3)20(12-14(19)2)28(25,26)24-9-7-23(8-10-24)16-5-6-17(21)18(22)13-16/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyLGWWJIQBNQWLQV-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.52
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine

1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine (PubChem CID 1287876) has the molecular formula C20H24Cl2N2O3S and a molecular weight of 443.40 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine
PubChem CID1287876
Molecular FormulaC20H24Cl2N2O3S
Molecular Weight443.40 g/mol
Exact Mass442.09
IUPAC Name1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1C
InChIInChI=1S/C20H24Cl2N2O3S/c1-4-27-19-11-15(3)20(12-14(19)2)28(25,26)24-9-7-23(8-10-24)16-5-6-17(21)18(22)13-16/h5-6,11-13H,4,7-10H2,1-3H3
InChIKeyLGWWJIQBNQWLQV-UHFFFAOYSA-N
XLogP4.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 91669904
1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine
CID 91670220
1-(3-chloro-4-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1289904
1-(3,4-dichlorophenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 991799
1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine
CID 3456966
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 91670225
1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine
CID 110757988
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 1303338
1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6460171
1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2137811
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 2209348
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2992112

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine (CID 1287876) is 1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine is CCOc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine?
The InChIKey is LGWWJIQBNQWLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3S/c1-4-27-19-11-15(3)20(12-14(19)2)28(25,26)24-9-7-23(8-10-24)16-5-6-17(21)18(22)13-16/h5-6,11-13H,4,7-10H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine?
1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine has a molecular weight of 443.40 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 1287876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).