5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide

C23H19N3O3S — CID 67533560

IUPAC5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCc3ccccn3)ccc1-2
InChIInChI=1S/C23H19N3O3S/c27-23-20-7-2-1-6-19(20)21-14-15-13-17(8-9-18(15)22(21)26-23)30(28,29)25-12-10-16-5-3-4-11-24-16/h1-9,11,13,25H,10,12,14H2,(H,26,27)
InChIKeyVIQZKBJILXSMBG-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.02
Rot. Bonds5

About 5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide

5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide (PubChem CID 67533560) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide.

Molecular Properties

Compound Name5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
PubChem CID67533560
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
SMILESO=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCc3ccccn3)ccc1-2
InChIInChI=1S/C23H19N3O3S/c27-23-20-7-2-1-6-19(20)21-14-15-13-17(8-9-18(15)22(21)26-23)30(28,29)25-12-10-16-5-3-4-11-24-16/h1-9,11,13,25H,10,12,14H2,(H,26,27)
InChIKeyVIQZKBJILXSMBG-UHFFFAOYSA-N
XLogP3.02
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide with MolForge

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Related Compounds

N-(3-imidazol-1-ylpropyl)-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
CID 10002219
N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide
CID 11157496
sodium 5-oxo-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonate
CID 23705998
9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide
CID 3694272
N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110661050
5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide
CID 64609007
methane;9-methyl-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
CID 161223927
3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3799880
4-chloro-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 4878966
3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 63287946
3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 172813710
3-(2-pyridin-2-ylethylsulfamoyl)benzenecarbothioamide
CID 29293837

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The IUPAC name of 5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide (CID 67533560) is 5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide.
What is the SMILES notation for 5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The canonical SMILES for 5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide is O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCc3ccccn3)ccc1-2.
What is the InChIKey of 5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
The InChIKey is VIQZKBJILXSMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c27-23-20-7-2-1-6-19(20)21-14-15-13-17(8-9-18(15)22(21)26-23)30(28,29)25-12-10-16-5-3-4-11-24-16/h1-9,11,13,25H,10,12,14H2,(H,26,27).
What are the key properties of 5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide?
5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide has a molecular weight of 417.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2-pyridin-2-ylethyl)-6,11-dihydroindeno[1,2-c]isoquinoline-9-sulfonamide is sourced from PubChem (CID 67533560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).