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

C18H20Cl2N2O2S — CID 113080251

IUPAC1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)c1
InChIInChI=1S/C18H20Cl2N2O2S/c1-13-3-4-14(2)18(11-13)25(23,24)22-9-7-21(8-10-22)17-6-5-15(19)12-16(17)20/h3-6,11-12H,7-10H2,1-2H3
InChIKeySJXZZPYGRSKUHI-UHFFFAOYSA-N
MW399.34 g/mol
LogP4.12
Rot. Bonds3

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

1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine (PubChem CID 113080251) has the molecular formula C18H20Cl2N2O2S and a molecular weight of 399.34 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
PubChem CID113080251
Molecular FormulaC18H20Cl2N2O2S
Molecular Weight399.34 g/mol
Exact Mass398.06
IUPAC Name1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)c1
InChIInChI=1S/C18H20Cl2N2O2S/c1-13-3-4-14(2)18(11-13)25(23,24)22-9-7-21(8-10-22)17-6-5-15(19)12-16(17)20/h3-6,11-12H,7-10H2,1-2H3
InChIKeySJXZZPYGRSKUHI-UHFFFAOYSA-N
XLogP4.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 113076822
4-chloro-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 31537658
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
(2,5-dichlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27514595
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 4678794
(4-chlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674083
1-tert-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113074855
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
1-(4-bromo-2,5-dimethylphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
CID 2137807
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684812
1-(2,5-dimethylphenyl)sulfonyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507127
(3S)-1-(4-chlorophenyl)-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 25346833

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine (CID 113080251) is 1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine is Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine?
The InChIKey is SJXZZPYGRSKUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2S/c1-13-3-4-14(2)18(11-13)25(23,24)22-9-7-21(8-10-22)17-6-5-15(19)12-16(17)20/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine?
1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine has a molecular weight of 399.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113080251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).