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

C23H24N2O2S — CID 118599814

IUPAC2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C23H24N2O2S/c1-2-17-24-28(26,27)23-14-8-7-13-22(23)25-20-11-5-3-9-18(20)15-16-19-10-4-6-12-21(19)25/h3-14,24H,2,15-17H2,1H3
InChIKeyKSHHIJLTWQTXSJ-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.94
Rot. Bonds5

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

2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide (PubChem CID 118599814) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide
PubChem CID118599814
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C23H24N2O2S/c1-2-17-24-28(26,27)23-14-8-7-13-22(23)25-20-11-5-3-9-18(20)15-16-19-10-4-6-12-21(19)25/h3-14,24H,2,15-17H2,1H3
InChIKeyKSHHIJLTWQTXSJ-UHFFFAOYSA-N
XLogP4.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide?
The IUPAC name of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide (CID 118599814) is 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1N1c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide?
The InChIKey is KSHHIJLTWQTXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-2-17-24-28(26,27)23-14-8-7-13-22(23)25-20-11-5-3-9-18(20)15-16-19-10-4-6-12-21(19)25/h3-14,24H,2,15-17H2,1H3.
What are the key properties of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide?
2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide has a molecular weight of 392.52 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 118599814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).