1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine

C17H18Cl2N2O2S — CID 46820976

IUPAC1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(c2ccccc2)C1
InChIInChI=1S/C17H18Cl2N2O2S/c1-20-7-8-21(17(12-20)13-5-3-2-4-6-13)24(22,23)16-10-14(18)9-15(19)11-16/h2-6,9-11,17H,7-8,12H2,1H3
InChIKeyQPMNOZFBJPFBJZ-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.67
Rot. Bonds3

About 1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine

1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine (PubChem CID 46820976) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine
PubChem CID46820976
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(c2ccccc2)C1
InChIInChI=1S/C17H18Cl2N2O2S/c1-20-7-8-21(17(12-20)13-5-3-2-4-6-13)24(22,23)16-10-14(18)9-15(19)11-16/h2-6,9-11,17H,7-8,12H2,1H3
InChIKeyQPMNOZFBJPFBJZ-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylsulfanylphenyl)sulfonyl-4-methyl-2-phenylpiperazine
CID 154800979
4-methyl-1-(4-methylsulfanylphenyl)sulfonyl-2-phenylpiperazine
CID 49238178
4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride
CID 47013193
1-(4-cyclohexylphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride
CID 17434921
(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-methyl-2-phenylpiperazine
CID 8818673
methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate
CID 31765455
1-(3,4-diethoxyphenyl)sulfonyl-4-methyl-2-phenylpiperazine;hydrochloride
CID 55386395
1-(4-methyl-2-phenylpiperazin-1-yl)sulfonylazepane
CID 43042480
2-(4-methyl-2-phenylpiperazin-1-yl)sulfonylpropanoic acid
CID 61454190
4-methyl-1-(2-methyl-5-nitrophenyl)sulfonyl-2-phenylpiperazine;hydrochloride
CID 46820921
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
(4R)-1-(3,5-dichlorophenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylic acid
CID 20828609

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine?
The IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine (CID 46820976) is 1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine?
The canonical SMILES for 1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine is CN1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(c2ccccc2)C1.
What is the InChIKey of 1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine?
The InChIKey is QPMNOZFBJPFBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c1-20-7-8-21(17(12-20)13-5-3-2-4-6-13)24(22,23)16-10-14(18)9-15(19)11-16/h2-6,9-11,17H,7-8,12H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine?
1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine has a molecular weight of 385.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-phenylpiperazine is sourced from PubChem (CID 46820976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).