1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine

C20H25ClN2O2S — CID 997461

IUPAC1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1C
InChIInChI=1S/C20H25ClN2O2S/c1-14-12-15(2)17(4)20(16(14)3)26(24,25)23-10-8-22(9-11-23)19-7-5-6-18(21)13-19/h5-7,12-13H,8-11H2,1-4H3
InChIKeyWZLJFJGHYIJWPV-UHFFFAOYSA-N
MW392.95 g/mol
LogP4.08
Rot. Bonds3

About 1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine

1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine (PubChem CID 997461) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
PubChem CID997461
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC Name1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1C
InChIInChI=1S/C20H25ClN2O2S/c1-14-12-15(2)17(4)20(16(14)3)26(24,25)23-10-8-22(9-11-23)19-7-5-6-18(21)13-19/h5-7,12-13H,8-11H2,1-4H3
InChIKeyWZLJFJGHYIJWPV-UHFFFAOYSA-N
XLogP4.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
1-(4-methoxyphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 1288689
1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
CID 34117775
1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine
CID 50842835
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
[4-(3-methylphenyl)piperazin-1-yl]-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 24542911
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-(2-methylsulfanylphenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 3482841
1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine
CID 1210841
1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076664
7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-4H-1,4-benzoxazin-3-one
CID 22548354

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine (CID 997461) is 1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1C.
What is the InChIKey of 1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
The InChIKey is WZLJFJGHYIJWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2S/c1-14-12-15(2)17(4)20(16(14)3)26(24,25)23-10-8-22(9-11-23)19-7-5-6-18(21)13-19/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine has a molecular weight of 392.95 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 997461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).