1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine

C17H18Cl2N2O2S — CID 27305897

IUPAC1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1
InChIInChI=1S/C17H18Cl2N2O2S/c1-13-4-2-5-14(12-13)20-8-10-21(11-9-20)24(22,23)16-7-3-6-15(18)17(16)19/h2-7,12H,8-11H2,1H3
InChIKeyHWJIMSJTEBFJDG-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.81
Rot. Bonds3

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

1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine (PubChem CID 27305897) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
PubChem CID27305897
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1
InChIInChI=1S/C17H18Cl2N2O2S/c1-13-4-2-5-14(12-13)20-8-10-21(11-9-20)24(22,23)16-7-3-6-15(18)17(16)19/h2-7,12H,8-11H2,1H3
InChIKeyHWJIMSJTEBFJDG-UHFFFAOYSA-N
XLogP3.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
2,4-dichloro-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenol
CID 3598660
1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 6736955
1-(3-methylphenyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 110705779
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
1,3-dimethyl-5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrimidine-2,4-dione
CID 27305949
methyl 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzoate
CID 51263564
1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine
CID 1210841
3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076897
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2137811
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 112823078

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine?
The IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine (CID 27305897) is 1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine?
The canonical SMILES for 1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine is Cc1cccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine?
The InChIKey is HWJIMSJTEBFJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c1-13-4-2-5-14(12-13)20-8-10-21(11-9-20)24(22,23)16-7-3-6-15(18)17(16)19/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine?
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine has a molecular weight of 385.32 g/mol, XLogP of 3.81, 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-(3-methylphenyl)piperazine is sourced from PubChem (CID 27305897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).