N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide

C21H20N2O3S — CID 54235410

IUPACN-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3c2Nc2ccccc2CC3)cc1
InChIInChI=1S/C21H20N2O3S/c1-26-17-11-13-18(14-12-17)27(24,25)23-20-8-4-6-16-10-9-15-5-2-3-7-19(15)22-21(16)20/h2-8,11-14,22-23H,9-10H2,1H3
InChIKeyQMFNJBIVSIAOIF-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.34
Rot. Bonds4

About N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide

N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide (PubChem CID 54235410) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide
PubChem CID54235410
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3c2Nc2ccccc2CC3)cc1
InChIInChI=1S/C21H20N2O3S/c1-26-17-11-13-18(14-12-17)27(24,25)23-20-8-4-6-16-10-9-15-5-2-3-7-19(15)22-21(16)20/h2-8,11-14,22-23H,9-10H2,1H3
InChIKeyQMFNJBIVSIAOIF-UHFFFAOYSA-N
XLogP4.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-methoxyphenyl)sulfonylamino]-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-8-yl]acetamide
CID 70110062
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide
CID 24993539
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide
CID 15294855
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587
4-methoxy-N-[2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
CID 15293859
4-hydroxy-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294835
N-(2,3-dimethyl-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 3456626
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404

Frequently Asked Questions

What is the IUPAC name of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide (CID 54235410) is N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3c2Nc2ccccc2CC3)cc1.
What is the InChIKey of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide?
The InChIKey is QMFNJBIVSIAOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-26-17-11-13-18(14-12-17)27(24,25)23-20-8-4-6-16-10-9-15-5-2-3-7-19(15)22-21(16)20/h2-8,11-14,22-23H,9-10H2,1H3.
What are the key properties of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide?
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,11-dihydro-5H-benzo[b][1]benzazepin-1-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 54235410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).