9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one

C18H15NO3S — CID 158057296

IUPAC9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one
SMILESCS(=O)(=O)c1ccc2c(c1)C1=C(C2)c2ccccc2NC(=O)C1
InChIInChI=1S/C18H15NO3S/c1-23(21,22)12-7-6-11-8-15-13-4-2-3-5-17(13)19-18(20)10-16(15)14(11)9-12/h2-7,9H,8,10H2,1H3,(H,19,20)
InChIKeyNBUKKOLFEGKNHH-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.90
Rot. Bonds1

About 9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one

9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one (PubChem CID 158057296) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one
PubChem CID158057296
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one
SMILESCS(=O)(=O)c1ccc2c(c1)C1=C(C2)c2ccccc2NC(=O)C1
InChIInChI=1S/C18H15NO3S/c1-23(21,22)12-7-6-11-8-15-13-4-2-3-5-17(13)19-18(20)10-16(15)14(11)9-12/h2-7,9H,8,10H2,1H3,(H,19,20)
InChIKeyNBUKKOLFEGKNHH-UHFFFAOYSA-N
XLogP2.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-methylsulfonyl-9H-fluorene
CID 59984556
2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide
CID 157130294
10-methoxy-5,7-dihydrobenzo[d][1]benzazepin-6-one
CID 102201703
5-methylsulfonyl-2,3-dihydro-1H-isoindole
CID 122493957
(4E)-4-(hydroxymethylidene)-1H-1-benzazepine-2,5-dione
CID 5468963
(3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one
CID 148819024
1,3-dihydroindol-2-one;ethane
CID 54350510
2-but-1-ynyl-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one
CID 158590615
1,3-dihydroindol-2-one;sulfamide
CID 160648154
3-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one
CID 102201701
1,3-dihydroindol-2-one;trihydrochloride
CID 66960013
5-(1-phenylethylsulfonyl)-1,3-dihydroindol-2-one
CID 18179950

Frequently Asked Questions

What is the IUPAC name of 9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one?
The IUPAC name of 9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one (CID 158057296) is 9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one.
What is the SMILES notation for 9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one?
The canonical SMILES for 9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one is CS(=O)(=O)c1ccc2c(c1)C1=C(C2)c2ccccc2NC(=O)C1.
What is the InChIKey of 9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one?
The InChIKey is NBUKKOLFEGKNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-23(21,22)12-7-6-11-8-15-13-4-2-3-5-17(13)19-18(20)10-16(15)14(11)9-12/h2-7,9H,8,10H2,1H3,(H,19,20).
What are the key properties of 9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one?
9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one has a molecular weight of 325.39 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one is sourced from PubChem (CID 158057296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).