N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C25H20N2O5S — CID 90654865

IUPACN-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCC1(C)CC(=O)c2c(oc3cc(NS(=O)(=O)c4ccc5c6c(cccc46)C(=O)N5)ccc23)C1
InChIInChI=1S/C25H20N2O5S/c1-25(2)11-18(28)23-14-7-6-13(10-19(14)32-20(23)12-25)27-33(30,31)21-9-8-17-22-15(21)4-3-5-16(22)24(29)26-17/h3-10,27H,11-12H2,1-2H3,(H,26,29)
InChIKeyIGHMIAGOLBUWJQ-UHFFFAOYSA-N
MW460.51 g/mol
LogP5.11
Rot. Bonds3

About N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 90654865) has the molecular formula C25H20N2O5S and a molecular weight of 460.51 g/mol. Its IUPAC name is N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID90654865
Molecular FormulaC25H20N2O5S
Molecular Weight460.51 g/mol
Exact Mass460.11
IUPAC NameN-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCC1(C)CC(=O)c2c(oc3cc(NS(=O)(=O)c4ccc5c6c(cccc46)C(=O)N5)ccc23)C1
InChIInChI=1S/C25H20N2O5S/c1-25(2)11-18(28)23-14-7-6-13(10-19(14)32-20(23)12-25)27-33(30,31)21-9-8-17-22-15(21)4-3-5-16(22)24(29)26-17/h3-10,27H,11-12H2,1-2H3,(H,26,29)
InChIKeyIGHMIAGOLBUWJQ-UHFFFAOYSA-N
XLogP5.11
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.51
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 90654865) is N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is CC1(C)CC(=O)c2c(oc3cc(NS(=O)(=O)c4ccc5c6c(cccc46)C(=O)N5)ccc23)C1.
What is the InChIKey of N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is IGHMIAGOLBUWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5S/c1-25(2)11-18(28)23-14-7-6-13(10-19(14)32-20(23)12-25)27-33(30,31)21-9-8-17-22-15(21)4-3-5-16(22)24(29)26-17/h3-10,27H,11-12H2,1-2H3,(H,26,29).
What are the key properties of N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 460.51 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 90654865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).