1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine

C20H24Cl2N2O3S — CID 1295231

IUPAC1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
SMILESCOc1cc(Cl)c(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)cc1Cl
InChIInChI=1S/C20H24Cl2N2O3S/c1-13-9-14(2)20(15(3)10-13)23-5-7-24(8-6-23)28(25,26)19-12-16(21)18(27-4)11-17(19)22/h9-12H,5-8H2,1-4H3
InChIKeyWKIGSHSUNWSFIV-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.44
Rot. Bonds4

About 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine

1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine (PubChem CID 1295231) has the molecular formula C20H24Cl2N2O3S and a molecular weight of 443.40 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
PubChem CID1295231
Molecular FormulaC20H24Cl2N2O3S
Molecular Weight443.40 g/mol
Exact Mass442.09
IUPAC Name1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
SMILESCOc1cc(Cl)c(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)cc1Cl
InChIInChI=1S/C20H24Cl2N2O3S/c1-13-9-14(2)20(15(3)10-13)23-5-7-24(8-6-23)28(25,26)19-12-16(21)18(27-4)11-17(19)22/h9-12H,5-8H2,1-4H3
InChIKeyWKIGSHSUNWSFIV-UHFFFAOYSA-N
XLogP4.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669807
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 1088778
1-(2-bromo-4,5-dimethylphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669810
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 2208743
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 16644819
1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110757932
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1085510
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 1303338
1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669820
1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 19132655
[1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119972086

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine (CID 1295231) is 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine.
What is the SMILES notation for 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The canonical SMILES for 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine is COc1cc(Cl)c(S(=O)(=O)N2CCN(c3c(C)cc(C)cc3C)CC2)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
The InChIKey is WKIGSHSUNWSFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3S/c1-13-9-14(2)20(15(3)10-13)23-5-7-24(8-6-23)28(25,26)19-12-16(21)18(27-4)11-17(19)22/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine?
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine has a molecular weight of 443.40 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine is sourced from PubChem (CID 1295231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).