N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide

C20H16N2O4S — CID 42648434

IUPACN-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1ccccc1O2
InChIInChI=1S/C20H16N2O4S/c1-22(14-7-3-2-4-8-14)27(24,25)15-11-12-18-16(13-15)20(23)21-17-9-5-6-10-19(17)26-18/h2-13H,1H3,(H,21,23)
InChIKeySKYVYTTZZHKPSG-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.87
Rot. Bonds3

About N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide

N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide (PubChem CID 42648434) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
PubChem CID42648434
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC NameN-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1ccccc1O2
InChIInChI=1S/C20H16N2O4S/c1-22(14-7-3-2-4-8-14)27(24,25)15-11-12-18-16(13-15)20(23)21-17-9-5-6-10-19(17)26-18/h2-13H,1H3,(H,21,23)
InChIKeySKYVYTTZZHKPSG-UHFFFAOYSA-N
XLogP3.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-N-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 50812416
3-chloro-N-(4-ethoxyphenyl)-N-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 50812353
3-chloro-N,N-dimethyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 50812335
N-(2,5-dimethylphenyl)-N,2-dimethyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 50812529
N-benzyl-N,2-dimethyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 50812342
N,2-dimethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 51702772
N-[4-[(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)sulfamoyl]phenyl]acetamide
CID 16801905
4-methoxy-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 16826883
4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 40889144
N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-phenylethanesulfonamide
CID 16820512
N-ethyl-1,3-dioxo-N-phenylisoindole-5-sulfonamide
CID 100820451
N,N-diethyl-9-(2-methoxyphenoxy)-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 53097113

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide?
The IUPAC name of N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide (CID 42648434) is N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide.
What is the SMILES notation for N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide?
The canonical SMILES for N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1ccccc1O2.
What is the InChIKey of N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide?
The InChIKey is SKYVYTTZZHKPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-22(14-7-3-2-4-8-14)27(24,25)15-11-12-18-16(13-15)20(23)21-17-9-5-6-10-19(17)26-18/h2-13H,1H3,(H,21,23).
What are the key properties of N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide?
N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide has a molecular weight of 380.43 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-phenyl-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide is sourced from PubChem (CID 42648434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).