1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine

C18H20Cl2N2O2S — CID 6736955

IUPAC1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
SMILESCc1cccc(C)c1N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H20Cl2N2O2S/c1-13-5-3-6-14(2)18(13)21-9-11-22(12-10-21)25(23,24)16-8-4-7-15(19)17(16)20/h3-8H,9-12H2,1-2H3
InChIKeyIDHMZINIXUAEND-UHFFFAOYSA-N
MW399.34 g/mol
LogP4.12
Rot. Bonds3

About 1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine

1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine (PubChem CID 6736955) has the molecular formula C18H20Cl2N2O2S and a molecular weight of 399.34 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
PubChem CID6736955
Molecular FormulaC18H20Cl2N2O2S
Molecular Weight399.34 g/mol
Exact Mass398.06
IUPAC Name1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
SMILESCc1cccc(C)c1N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H20Cl2N2O2S/c1-13-5-3-6-14(2)18(13)21-9-11-22(12-10-21)25(23,24)16-8-4-7-15(19)17(16)20/h3-8H,9-12H2,1-2H3
InChIKeyIDHMZINIXUAEND-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-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 5012297
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
1-(2,3-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350610
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
4-(2-chloro-6-methylphenyl)-N-ethylpiperazine-1-sulfonamide
CID 126808205
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine
CID 68555914
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 3520156
1-(2,6-dimethylphenyl)-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine
CID 2941993
1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103333

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine?
The IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine (CID 6736955) is 1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine?
The canonical SMILES for 1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine is Cc1cccc(C)c1N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine?
The InChIKey is IDHMZINIXUAEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2S/c1-13-5-3-6-14(2)18(13)21-9-11-22(12-10-21)25(23,24)16-8-4-7-15(19)17(16)20/h3-8H,9-12H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine?
1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine 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-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine is sourced from PubChem (CID 6736955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).