6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one

C26H20N2O3S — CID 166181776

IUPAC6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)N4Cc5ccccc5-c5ccccc5C4)ccc1c23
InChIInChI=1S/C26H20N2O3S/c1-27-23-13-14-24(21-11-6-12-22(25(21)23)26(27)29)32(30,31)28-15-17-7-2-4-9-19(17)20-10-5-3-8-18(20)16-28/h2-14H,15-16H2,1H3
InChIKeyPJNGZNFBLVCCSY-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.80
Rot. Bonds2

About 6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one

6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one (PubChem CID 166181776) has the molecular formula C26H20N2O3S and a molecular weight of 440.52 g/mol. Its IUPAC name is 6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one.

Molecular Properties

Compound Name6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one
PubChem CID166181776
Molecular FormulaC26H20N2O3S
Molecular Weight440.52 g/mol
Exact Mass440.12
IUPAC Name6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)N4Cc5ccccc5-c5ccccc5C4)ccc1c23
InChIInChI=1S/C26H20N2O3S/c1-27-23-13-14-24(21-11-6-12-22(25(21)23)26(27)29)32(30,31)28-15-17-7-2-4-9-19(17)20-10-5-3-8-18(20)16-28/h2-14H,15-16H2,1H3
InChIKeyPJNGZNFBLVCCSY-UHFFFAOYSA-N
XLogP4.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one?
The IUPAC name of 6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one (CID 166181776) is 6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one.
What is the SMILES notation for 6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one?
The canonical SMILES for 6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one is CN1C(=O)c2cccc3c(S(=O)(=O)N4Cc5ccccc5-c5ccccc5C4)ccc1c23.
What is the InChIKey of 6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one?
The InChIKey is PJNGZNFBLVCCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3S/c1-27-23-13-14-24(21-11-6-12-22(25(21)23)26(27)29)32(30,31)28-15-17-7-2-4-9-19(17)20-10-5-3-8-18(20)16-28/h2-14H,15-16H2,1H3.
What are the key properties of 6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one?
6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one has a molecular weight of 440.52 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,7-dihydrobenzo[d][2]benzazepin-6-ylsulfonyl)-1-methylbenzo[cd]indol-2-one is sourced from PubChem (CID 166181776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).