3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one

C27H23NO3S — CID 155907204

IUPAC3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)c3ccc4ccccc4c3CC2=O)cc1
InChIInChI=1S/C27H23NO3S/c1-19-11-14-22(15-12-19)32(30,31)28-18-26(20-7-3-2-4-8-20)24-16-13-21-9-5-6-10-23(21)25(24)17-27(28)29/h2-16,26H,17-18H2,1H3
InChIKeyJOPLPDPNJCAARJ-UHFFFAOYSA-N
MW441.55 g/mol
LogP5.05
Rot. Bonds3

About 3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one

3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one (PubChem CID 155907204) has the molecular formula C27H23NO3S and a molecular weight of 441.55 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one
PubChem CID155907204
Molecular FormulaC27H23NO3S
Molecular Weight441.55 g/mol
Exact Mass441.14
IUPAC Name3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)c3ccc4ccccc4c3CC2=O)cc1
InChIInChI=1S/C27H23NO3S/c1-19-11-14-22(15-12-19)32(30,31)28-18-26(20-7-3-2-4-8-20)24-16-13-21-9-5-6-10-23(21)25(24)17-27(28)29/h2-16,26H,17-18H2,1H3
InChIKeyJOPLPDPNJCAARJ-UHFFFAOYSA-N
XLogP5.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.55
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one
CID 155907231
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydro-3-benzazepin-4-one
CID 155907249
4-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 54671505
3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
CID 155907297
4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one
CID 155907206
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830
(1S,4S,5S)-2-(4-methylphenyl)sulfonyl-5-naphthalen-1-yl-2-aza-5-phosphabicyclo[2.2.1]heptane
CID 117064678
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
3-[3,5-bis(trifluoromethyl)phenyl]-2-(4-methylphenyl)sulfonyl-3H-benzo[g]isoindol-1-one
CID 177452758
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
CID 155907261
1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine
CID 102402863
1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole
CID 101391819

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one (CID 155907204) is 3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one is Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)c3ccc4ccccc4c3CC2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one?
The InChIKey is JOPLPDPNJCAARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO3S/c1-19-11-14-22(15-12-19)32(30,31)28-18-26(20-7-3-2-4-8-20)24-16-13-21-9-5-6-10-23(21)25(24)17-27(28)29/h2-16,26H,17-18H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one?
3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one has a molecular weight of 441.55 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one is sourced from PubChem (CID 155907204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).