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

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Related Compounds

N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1192817
N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)benzenesulfonamide
CID 6611008
N-{4-[(benzylamino)sulfonyl]-1-naphthyl}benzamide
CID 11270007
N-[(1-Acetylpiperidin-4-Yl)methyl]-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 90654872
N-Cycloheptyl-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 105539837
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-2-methylbenzamide
CID 10391001
2-{3-[4-(4-Fluorobenzoyl)piperidino]propyl}naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 14580035
1H-Benzo[cd]indol-2-one, 1-ethyl-6-(piperazine-1-sulfonyl)-
CID 741724
1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1534872
N-(4-phenylsulfamoyl-naphthalen-1-yl)-benzamide
CID 11774008
N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 15944463
N,N,1-trimethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1094897

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).