1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine

C18H19Cl3N2O4S — CID 1303338

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(OC)cc1Cl
InChIInChI=1S/C18H19Cl3N2O4S/c1-26-16-11-18(17(27-2)10-15(16)21)28(24,25)23-7-5-22(6-8-23)12-3-4-13(19)14(20)9-12/h3-4,9-11H,5-8H2,1-2H3
InChIKeyGIPVQGPTFTVSGK-UHFFFAOYSA-N
MW465.79 g/mol
LogP4.17
Rot. Bonds5

About 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine

1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine (PubChem CID 1303338) has the molecular formula C18H19Cl3N2O4S and a molecular weight of 465.79 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
PubChem CID1303338
Molecular FormulaC18H19Cl3N2O4S
Molecular Weight465.79 g/mol
Exact Mass464.01
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(OC)cc1Cl
InChIInChI=1S/C18H19Cl3N2O4S/c1-26-16-11-18(17(27-2)10-15(16)21)28(24,25)23-7-5-22(6-8-23)12-3-4-13(19)14(20)9-12/h3-4,9-11H,5-8H2,1-2H3
InChIKeyGIPVQGPTFTVSGK-UHFFFAOYSA-N
XLogP4.17
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.79
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 16644819
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 2208743
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
1-(3-chloro-4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113077138
1-(3,4-dichlorophenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 991799
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 6464219
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1294502
1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 1287876
1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine
CID 91670220
1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine
CID 44787244
1-(3,4-dichlorophenyl)-4-(5-fluoro-2-methylphenyl)sulfonylpiperazine
CID 3456966
1-(3-chloro-4-methoxyphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 113077144

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine (CID 1303338) is 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine is COc1cc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine?
The InChIKey is GIPVQGPTFTVSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl3N2O4S/c1-26-16-11-18(17(27-2)10-15(16)21)28(24,25)23-7-5-22(6-8-23)12-3-4-13(19)14(20)9-12/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine?
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine has a molecular weight of 465.79 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine is sourced from PubChem (CID 1303338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).