1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline

C22H19NO2S — CID 10618601

IUPAC1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3C=CC2c2ccccc2)cc1
InChIInChI=1S/C22H19NO2S/c1-17-11-14-20(15-12-17)26(24,25)23-21-10-6-5-9-19(21)13-16-22(23)18-7-3-2-4-8-18/h2-16,22H,1H3
InChIKeyRPOSZCYQIWVIPD-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.96
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline

1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline (PubChem CID 10618601) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline
PubChem CID10618601
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3C=CC2c2ccccc2)cc1
InChIInChI=1S/C22H19NO2S/c1-17-11-14-20(15-12-17)26(24,25)23-21-10-6-5-9-19(21)13-16-22(23)18-7-3-2-4-8-18/h2-16,22H,1H3
InChIKeyRPOSZCYQIWVIPD-UHFFFAOYSA-N
XLogP4.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline
CID 10685557
1-(4-chlorophenyl)sulfonyl-2-[4-(dimethoxymethyl)phenyl]-2H-quinoline
CID 20613784
1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one
CID 102530463
(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline
CID 132969567
ethyl (2E)-2-[(4aS)-3-(4-methylphenyl)sulfonyl-1-phenyl-4aH-pyrazino[1,2-a]quinolin-4-ylidene]acetate
CID 166558446
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one
CID 122228868
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792
1-(4-methylphenyl)sulfonyl-7-phenyl-2,3,4,7-tetrahydroazepine
CID 101056783
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 132940992
(2E)-2-[(4-ethylphenyl)methylidene]-3-(4-methylphenyl)sulfonyl-1,4-diphenyl-4H-pyrimidine
CID 177383866

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline (CID 10618601) is 1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline is Cc1ccc(S(=O)(=O)N2c3ccccc3C=CC2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline?
The InChIKey is RPOSZCYQIWVIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-17-11-14-20(15-12-17)26(24,25)23-21-10-6-5-9-19(21)13-16-22(23)18-7-3-2-4-8-18/h2-16,22H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline?
1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline has a molecular weight of 361.47 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline is sourced from PubChem (CID 10618601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).