(2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine

C30H28N2O2S — CID 162406799

IUPAC(2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)N(c3ccccc3)C/C2=C/c2ccccc2)cc1
InChIInChI=1S/C30H28N2O2S/c1-24-17-19-29(20-18-24)35(33,34)32-23-30(26-13-7-3-8-14-26)31(27-15-9-4-10-16-27)22-28(32)21-25-11-5-2-6-12-25/h2-21,30H,22-23H2,1H3/b28-21-
InChIKeyWFVLWOICYIMARY-HFTWOUSFSA-N
MW480.63 g/mol
LogP6.29
Rot. Bonds5

About (2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine

(2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine (PubChem CID 162406799) has the molecular formula C30H28N2O2S and a molecular weight of 480.63 g/mol. Its IUPAC name is (2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine.

Molecular Properties

Compound Name(2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine
PubChem CID162406799
Molecular FormulaC30H28N2O2S
Molecular Weight480.63 g/mol
Exact Mass480.19
IUPAC Name(2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)N(c3ccccc3)C/C2=C/c2ccccc2)cc1
InChIInChI=1S/C30H28N2O2S/c1-24-17-19-29(20-18-24)35(33,34)32-23-30(26-13-7-3-8-14-26)31(27-15-9-4-10-16-27)22-28(32)21-25-11-5-2-6-12-25/h2-21,30H,22-23H2,1H3/b28-21-
InChIKeyWFVLWOICYIMARY-HFTWOUSFSA-N
XLogP6.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992661
3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992751
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830
3-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992749
(4R)-3-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992660
1-(4-iodophenyl)-5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyrazine
CID 162406807
(2R,3R,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,3,5-triphenylpiperazine
CID 134953521
1,3-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,3-diazinane
CID 164682661
(3Z)-3-benzylidene-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 11209974
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 146469231

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine?
The IUPAC name of (2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine (CID 162406799) is (2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine.
What is the SMILES notation for (2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine?
The canonical SMILES for (2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine is Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)N(c3ccccc3)C/C2=C/c2ccccc2)cc1.
What is the InChIKey of (2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine?
The InChIKey is WFVLWOICYIMARY-HFTWOUSFSA-N. The full InChI is InChI=1S/C30H28N2O2S/c1-24-17-19-29(20-18-24)35(33,34)32-23-30(26-13-7-3-8-14-26)31(27-15-9-4-10-16-27)22-28(32)21-25-11-5-2-6-12-25/h2-21,30H,22-23H2,1H3/b28-21-.
What are the key properties of (2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine?
(2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine has a molecular weight of 480.63 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-1-(4-methylphenyl)sulfonyl-4,5-diphenylpiperazine is sourced from PubChem (CID 162406799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).