1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

C19H22Cl2N2O2S — CID 2196606

IUPAC1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C)c3Cl)CC2)c1C
InChIInChI=1S/C19H22Cl2N2O2S/c1-13-5-4-6-17(14(13)2)22-9-11-23(12-10-22)26(24,25)18-8-7-16(20)15(3)19(18)21/h4-8H,9-12H2,1-3H3
InChIKeyZDLTYCCEVGFRHA-UHFFFAOYSA-N
MW413.37 g/mol
LogP4.43
Rot. Bonds3

About 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (PubChem CID 2196606) has the molecular formula C19H22Cl2N2O2S and a molecular weight of 413.37 g/mol. Its IUPAC name is 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
PubChem CID2196606
Molecular FormulaC19H22Cl2N2O2S
Molecular Weight413.37 g/mol
Exact Mass412.08
IUPAC Name1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C)c3Cl)CC2)c1C
InChIInChI=1S/C19H22Cl2N2O2S/c1-13-5-4-6-17(14(13)2)22-9-11-23(12-10-22)26(24,25)18-8-7-16(20)15(3)19(18)21/h4-8H,9-12H2,1-3H3
InChIKeyZDLTYCCEVGFRHA-UHFFFAOYSA-N
XLogP4.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
CID 1178553
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3520156
1-(3-chloro-2-methylphenyl)-4-(4,5-dichloro-2-methylphenyl)sulfonylpiperazine
CID 91670016
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 775480
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3382446
1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 6469213
1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 6736955
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
1-(2,3-dimethylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 3590123
1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 1344730
4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine
CID 881417

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (CID 2196606) is 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C)c3Cl)CC2)c1C.
What is the InChIKey of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is ZDLTYCCEVGFRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2S/c1-13-5-4-6-17(14(13)2)22-9-11-23(12-10-22)26(24,25)18-8-7-16(20)15(3)19(18)21/h4-8H,9-12H2,1-3H3.
What are the key properties of 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 413.37 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 2196606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).