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

C23H15Cl2N3O5S2 — CID 1373006

IUPAC6-N,8-N-bis(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
SMILESO=C1Nc2c(S(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)Nc3ccc(Cl)cc3)c3cccc1c23
InChIInChI=1S/C23H15Cl2N3O5S2/c24-13-4-8-15(9-5-13)27-34(30,31)19-12-20(35(32,33)28-16-10-6-14(25)7-11-16)22-21-17(19)2-1-3-18(21)23(29)26-22/h1-12,27-28H,(H,26,29)
InChIKeyISIOEVJROSKLQL-UHFFFAOYSA-N
MW548.43 g/mol
LogP5.31
Rot. Bonds6

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

6-N,8-N-bis(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide (PubChem CID 1373006) has the molecular formula C23H15Cl2N3O5S2 and a molecular weight of 548.43 g/mol. Its IUPAC name is 6-N,8-N-bis(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide.

Molecular Properties

Compound Name6-N,8-N-bis(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
PubChem CID1373006
Molecular FormulaC23H15Cl2N3O5S2
Molecular Weight548.43 g/mol
Exact Mass546.98
IUPAC Name6-N,8-N-bis(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
SMILESO=C1Nc2c(S(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)Nc3ccc(Cl)cc3)c3cccc1c23
InChIInChI=1S/C23H15Cl2N3O5S2/c24-13-4-8-15(9-5-13)27-34(30,31)19-12-20(35(32,33)28-16-10-6-14(25)7-11-16)22-21-17(19)2-1-3-18(21)23(29)26-22/h1-12,27-28H,(H,26,29)
InChIKeyISIOEVJROSKLQL-UHFFFAOYSA-N
XLogP5.31
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.43
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,8-N-bis(4-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
CID 22310624
6-N,8-N-bis(5-chloro-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
CID 3640973
8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide
CID 143753066
N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 5189210
2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55662957
5-amino-N-(4-chlorophenyl)naphthalene-1-sulfonamide
CID 71378128
2-fluoro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
CID 55895579
2-oxo-N-[3-(sulfamoylamino)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55896537
6-N,8-N-dimethyl-2-oxo-6-N,8-N-diphenyl-1H-benzo[cd]indole-6,8-disulfonamide
CID 1280459
4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 973584
2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
CID 52698680
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-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
The IUPAC name of 6-N,8-N-bis(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide (CID 1373006) is 6-N,8-N-bis(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide.
What is the SMILES notation for 6-N,8-N-bis(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
The canonical SMILES for 6-N,8-N-bis(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide is O=C1Nc2c(S(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)Nc3ccc(Cl)cc3)c3cccc1c23.
What is the InChIKey of 6-N,8-N-bis(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
The InChIKey is ISIOEVJROSKLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N3O5S2/c24-13-4-8-15(9-5-13)27-34(30,31)19-12-20(35(32,33)28-16-10-6-14(25)7-11-16)22-21-17(19)2-1-3-18(21)23(29)26-22/h1-12,27-28H,(H,26,29).
What are the key properties of 6-N,8-N-bis(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
6-N,8-N-bis(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide has a molecular weight of 548.43 g/mol, XLogP of 5.31, 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(4-chlorophenyl)-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide is sourced from PubChem (CID 1373006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).