6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide

C25H19Cl2N3O5S2 — CID 3640973

IUPAC6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)c2cccc3c2c1NC3=O
InChIInChI=1S/C25H19Cl2N3O5S2/c1-13-6-8-15(26)10-19(13)29-36(32,33)21-12-22(24-23-17(21)4-3-5-18(23)25(31)28-24)37(34,35)30-20-11-16(27)9-7-14(20)2/h3-12,29-30H,1-2H3,(H,28,31)
InChIKeyUUSYZGSDAVIDDL-UHFFFAOYSA-N
MW576.48 g/mol
LogP5.93
Rot. Bonds6

About 6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide

6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide (PubChem CID 3640973) has the molecular formula C25H19Cl2N3O5S2 and a molecular weight of 576.48 g/mol. Its IUPAC name is 6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide.

Molecular Properties

Compound Name6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
PubChem CID3640973
Molecular FormulaC25H19Cl2N3O5S2
Molecular Weight576.48 g/mol
Exact Mass575.01
IUPAC Name6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)c2cccc3c2c1NC3=O
InChIInChI=1S/C25H19Cl2N3O5S2/c1-13-6-8-15(26)10-19(13)29-36(32,33)21-12-22(24-23-17(21)4-3-5-18(23)25(31)28-24)37(34,35)30-20-11-16(27)9-7-14(20)2/h3-12,29-30H,1-2H3,(H,28,31)
InChIKeyUUSYZGSDAVIDDL-UHFFFAOYSA-N
XLogP5.93
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.48
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N,8-N-bis(5-chloro-2-methylphenyl)-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
N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 5189210
6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
CID 22310624
N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 134025383
N-(5-chloro-2-methylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913963
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
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
6-N,8-N-dimethyl-2-oxo-6-N,8-N-diphenyl-1H-benzo[cd]indole-6,8-disulfonamide
CID 1280459
8-(2,4-dimethylanilino)sulfanyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide;prop-1-ene
CID 143753082

Frequently Asked Questions

What is the IUPAC name of 6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
The IUPAC name of 6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide (CID 3640973) is 6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide.
What is the SMILES notation for 6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
The canonical SMILES for 6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)c2cccc3c2c1NC3=O.
What is the InChIKey of 6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
The InChIKey is UUSYZGSDAVIDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N3O5S2/c1-13-6-8-15(26)10-19(13)29-36(32,33)21-12-22(24-23-17(21)4-3-5-18(23)25(31)28-24)37(34,35)30-20-11-16(27)9-7-14(20)2/h3-12,29-30H,1-2H3,(H,28,31).
What are the key properties of 6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide has a molecular weight of 576.48 g/mol, XLogP of 5.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide is sourced from PubChem (CID 3640973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).