6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide

C25H21N3O7S2 — CID 22310624

IUPAC6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)c3cccc4c3c2NC4=O)cc1
InChIInChI=1S/C25H21N3O7S2/c1-34-17-10-6-15(7-11-17)27-36(30,31)21-14-22(24-23-19(21)4-3-5-20(23)25(29)26-24)37(32,33)28-16-8-12-18(35-2)13-9-16/h3-14,27-28H,1-2H3,(H,26,29)
InChIKeyBWHDGVUWUUWUGF-UHFFFAOYSA-N
MW539.59 g/mol
LogP4.02
Rot. Bonds8

About 6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide

6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide (PubChem CID 22310624) has the molecular formula C25H21N3O7S2 and a molecular weight of 539.59 g/mol. Its IUPAC name is 6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide.

Molecular Properties

Compound Name6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
PubChem CID22310624
Molecular FormulaC25H21N3O7S2
Molecular Weight539.59 g/mol
Exact Mass539.08
IUPAC Name6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)c3cccc4c3c2NC4=O)cc1
InChIInChI=1S/C25H21N3O7S2/c1-34-17-10-6-15(7-11-17)27-36(30,31)21-14-22(24-23-19(21)4-3-5-20(23)25(29)26-24)37(32,33)28-16-8-12-18(35-2)13-9-16/h3-14,27-28H,1-2H3,(H,26,29)
InChIKeyBWHDGVUWUUWUGF-UHFFFAOYSA-N
XLogP4.02
TPSA139.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.59
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide with MolForge

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Related Compounds

6-N,8-N-bis(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
CID 1373006
6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
CID 3640973
N-(4-methoxyphenyl)-3-oxo-2-thiatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene-9-sulfonamide
CID 1079390
8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide
CID 143753066
N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 60588923
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55662957
2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 52698680
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55896537
N-(3-acetylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 15942931

Frequently Asked Questions

What is the IUPAC name of 6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
The IUPAC name of 6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide (CID 22310624) is 6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide.
What is the SMILES notation for 6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
The canonical SMILES for 6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide is COc1ccc(NS(=O)(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)c3cccc4c3c2NC4=O)cc1.
What is the InChIKey of 6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
The InChIKey is BWHDGVUWUUWUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O7S2/c1-34-17-10-6-15(7-11-17)27-36(30,31)21-14-22(24-23-19(21)4-3-5-20(23)25(29)26-24)37(32,33)28-16-8-12-18(35-2)13-9-16/h3-14,27-28H,1-2H3,(H,26,29).
What are the key properties of 6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide has a molecular weight of 539.59 g/mol, XLogP of 4.02, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide is sourced from PubChem (CID 22310624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).