(2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline

C22H22N2O2S — CID 132553338

IUPAC(2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline
SMILESCc1ccc([C@@H]2CN(c3ccccc3)c3ccccc3N2S(C)(=O)=O)cc1
InChIInChI=1S/C22H22N2O2S/c1-17-12-14-18(15-13-17)22-16-23(19-8-4-3-5-9-19)20-10-6-7-11-21(20)24(22)27(2,25)26/h3-15,22H,16H2,1-2H3/t22-/m0/s1
InChIKeyRPBGOHRCMCBAQJ-QFIPXVFZSA-N
MW378.50 g/mol
LogP4.65
Rot. Bonds3

About (2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline

(2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline (PubChem CID 132553338) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline
PubChem CID132553338
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name(2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline
SMILESCc1ccc([C@@H]2CN(c3ccccc3)c3ccccc3N2S(C)(=O)=O)cc1
InChIInChI=1S/C22H22N2O2S/c1-17-12-14-18(15-13-17)22-16-23(19-8-4-3-5-9-19)20-10-6-7-11-21(20)24(22)27(2,25)26/h3-15,22H,16H2,1-2H3/t22-/m0/s1
InChIKeyRPBGOHRCMCBAQJ-QFIPXVFZSA-N
XLogP4.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(4R)-3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992661
3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992751
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
3-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992749
(4R)-3-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992660
(3S,4R,6S)-6-(4-methylphenyl)-1-methylsulfonyl-4-phenylsulfanylpiperidine-3-carboxylic acid
CID 155564739
1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
2-(4-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-1,4-benzodiazepin-5-one
CID 10569905
2-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
CID 19748849
2-[1-(4-methylphenyl)ethenyl]-3-methylsulfonyl-2H-1,3-benzoxazole
CID 177479574
3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one
CID 146164427

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline?
The IUPAC name of (2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline (CID 132553338) is (2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline.
What is the SMILES notation for (2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline?
The canonical SMILES for (2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline is Cc1ccc([C@@H]2CN(c3ccccc3)c3ccccc3N2S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline?
The InChIKey is RPBGOHRCMCBAQJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-17-12-14-18(15-13-17)22-16-23(19-8-4-3-5-9-19)20-10-6-7-11-21(20)24(22)27(2,25)26/h3-15,22H,16H2,1-2H3/t22-/m0/s1.
What are the key properties of (2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline?
(2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline has a molecular weight of 378.50 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)-1-methylsulfonyl-4-phenyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 132553338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).