4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one

C24H22N2O3S — CID 71505777

IUPAC4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3NC3C(c4ccccc4)C(=O)CC32)cc1
InChIInChI=1S/C24H22N2O3S/c1-16-11-13-18(14-12-16)30(28,29)26-20-10-6-5-9-19(20)25-24-21(26)15-22(27)23(24)17-7-3-2-4-8-17/h2-14,21,23-25H,15H2,1H3
InChIKeyGTZXJOYCGWHDLG-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.11
Rot. Bonds3

About 4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one

4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one (PubChem CID 71505777) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one
PubChem CID71505777
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3NC3C(c4ccccc4)C(=O)CC32)cc1
InChIInChI=1S/C24H22N2O3S/c1-16-11-13-18(14-12-16)30(28,29)26-20-10-6-5-9-19(20)25-24-21(26)15-22(27)23(24)17-7-3-2-4-8-17/h2-14,21,23-25H,15H2,1H3
InChIKeyGTZXJOYCGWHDLG-UHFFFAOYSA-N
XLogP4.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one with MolForge

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Related Compounds

12-(2-methylanilino)-8-(4-methylphenyl)sulfonyl-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-one
CID 162403630
(4aS,9aS)-9-(4-methylphenyl)sulfonyl-3,4,4a,9a-tetrahydro-1H-carbazol-2-one
CID 15261495
8-(4-methylphenyl)sulfonyl-12-(N-prop-2-ynylanilino)-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-one
CID 162403629
(3aR,9aR)-9-(4-methylphenyl)sulfonyl-2,3,3a,9a-tetrahydro-1H-cyclopenta[b][1,4]benzothiazine
CID 44598734
1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline
CID 10618601
(5aR,10aR)-11-(4-methylphenyl)sulfonyl-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazine
CID 44597020
1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one
CID 102530463
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one
CID 122228868
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one
CID 86002564
(1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one
CID 101161455
1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole
CID 10519271

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one (CID 71505777) is 4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one is Cc1ccc(S(=O)(=O)N2c3ccccc3NC3C(c4ccccc4)C(=O)CC32)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one?
The InChIKey is GTZXJOYCGWHDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-16-11-13-18(14-12-16)30(28,29)26-20-10-6-5-9-19(20)25-24-21(26)15-22(27)23(24)17-7-3-2-4-8-17/h2-14,21,23-25H,15H2,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one?
4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one has a molecular weight of 418.52 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-1-phenyl-3,3a,9,9a-tetrahydro-1H-cyclopenta[b]quinoxalin-2-one is sourced from PubChem (CID 71505777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).