8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide

C23H17N3O3S2 — CID 143753066

IUPAC8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2c(SNc3ccccc3)cc(S(=O)(=O)Nc3ccccc3)c3cccc1c23
InChIInChI=1S/C23H17N3O3S2/c27-23-18-13-7-12-17-20(31(28,29)26-16-10-5-2-6-11-16)14-19(22(24-23)21(17)18)30-25-15-8-3-1-4-9-15/h1-14,25-26H,(H,24,27)
InChIKeyXKDSCIBYOYIORZ-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.33
Rot. Bonds6

About 8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide

8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 143753066) has the molecular formula C23H17N3O3S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide
PubChem CID143753066
Molecular FormulaC23H17N3O3S2
Molecular Weight447.54 g/mol
Exact Mass447.07
IUPAC Name8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2c(SNc3ccccc3)cc(S(=O)(=O)Nc3ccccc3)c3cccc1c23
InChIInChI=1S/C23H17N3O3S2/c27-23-18-13-7-12-17-20(31(28,29)26-16-10-5-2-6-11-16)14-19(22(24-23)21(17)18)30-25-15-8-3-1-4-9-15/h1-14,25-26H,(H,24,27)
InChIKeyXKDSCIBYOYIORZ-UHFFFAOYSA-N
XLogP5.33
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of 8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide (CID 143753066) is 8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2c(SNc3ccccc3)cc(S(=O)(=O)Nc3ccccc3)c3cccc1c23.
What is the InChIKey of 8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is XKDSCIBYOYIORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S2/c27-23-18-13-7-12-17-20(31(28,29)26-16-10-5-2-6-11-16)14-19(22(24-23)21(17)18)30-25-15-8-3-1-4-9-15/h1-14,25-26H,(H,24,27).
What are the key properties of 8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide?
8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 447.54 g/mol, XLogP of 5.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilinosulfanyl-2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 143753066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).