2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide

C18H16N2O4S — CID 157130294

IUPAC2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide
SMILESCOc1ccc2c(c1)C1=C(CC(=O)N2)c2cc(S(N)(=O)=O)ccc2C1
InChIInChI=1S/C18H16N2O4S/c1-24-11-3-5-17-16(7-11)14-6-10-2-4-12(25(19,22)23)8-13(10)15(14)9-18(21)20-17/h2-5,7-8H,6,9H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyPQAHWLUQJTZLQO-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.15
Rot. Bonds2

About 2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide

2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide (PubChem CID 157130294) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide.

Molecular Properties

Compound Name2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide
PubChem CID157130294
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide
SMILESCOc1ccc2c(c1)C1=C(CC(=O)N2)c2cc(S(N)(=O)=O)ccc2C1
InChIInChI=1S/C18H16N2O4S/c1-24-11-3-5-17-16(7-11)14-6-10-2-4-12(25(19,22)23)8-13(10)15(14)9-18(21)20-17/h2-5,7-8H,6,9H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyPQAHWLUQJTZLQO-UHFFFAOYSA-N
XLogP2.15
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-methylsulfonyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one
CID 158057296
10-methoxy-5,7-dihydrobenzo[d][1]benzazepin-6-one
CID 102201703
7-methoxy-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one;hydrochloride
CID 70677274
5-methoxy-1,3-dihydroindol-2-one;2,2,2-trichloroethane-1,1-diol
CID 158837669
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
5-[(3-methoxyphenyl)methylsulfonyl]-1,3-dihydroindol-2-one
CID 18179648
2-methoxy-9-methyl-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(1-methylcyclopropyl)methyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-(2-methyloxiran-2-yl)-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one;9-methyl-2-[(Z)-3-oxobut-1-enyl]-7,12-dihydro-5H-indeno[1,2-d][1]benzazepin-6-one
CID 157303957
3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one
CID 175999175
sodium (Z)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methanolate
CID 75356207
3-methoxybenzenesulfonamide
CID 14763060
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
5-[(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 110663091

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide?
The IUPAC name of 2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide (CID 157130294) is 2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide.
What is the SMILES notation for 2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide?
The canonical SMILES for 2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide is COc1ccc2c(c1)C1=C(CC(=O)N2)c2cc(S(N)(=O)=O)ccc2C1.
What is the InChIKey of 2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide?
The InChIKey is PQAHWLUQJTZLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-24-11-3-5-17-16(7-11)14-6-10-2-4-12(25(19,22)23)8-13(10)15(14)9-18(21)20-17/h2-5,7-8H,6,9H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide?
2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide has a molecular weight of 356.40 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-oxo-7,12-dihydro-5H-indeno[1,2-d][1]benzazepine-9-sulfonamide is sourced from PubChem (CID 157130294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).