N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide

C18H20N2O3S — CID 627403

IUPACN-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2
InChIInChI=1S/C18H20N2O3S/c1-3-24(22,23)19-16-11-10-15-9-8-14-6-4-5-7-17(14)20(13(2)21)18(15)12-16/h4-7,10-12,19H,3,8-9H2,1-2H3
InChIKeyHQBJXMOAFCKOPR-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.23
Rot. Bonds3

About N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide

N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide (PubChem CID 627403) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide
PubChem CID627403
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2
InChIInChI=1S/C18H20N2O3S/c1-3-24(22,23)19-16-11-10-15-9-8-14-6-4-5-7-17(14)20(13(2)21)18(15)12-16/h4-7,10-12,19H,3,8-9H2,1-2H3
InChIKeyHQBJXMOAFCKOPR-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide?
The IUPAC name of N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide (CID 627403) is N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide?
The canonical SMILES for N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2.
What is the InChIKey of N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide?
The InChIKey is HQBJXMOAFCKOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-24(22,23)19-16-11-10-15-9-8-14-6-4-5-7-17(14)20(13(2)21)18(15)12-16/h4-7,10-12,19H,3,8-9H2,1-2H3.
What are the key properties of N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide?
N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)ethanesulfonamide is sourced from PubChem (CID 627403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).