2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide

C24H19N3O3S2 — CID 167940722

About 2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide

2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 167940722) has the molecular formula C24H19N3O3S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

• Compound Name: 2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide
• PubChem CID: 167940722
• Molecular Formula: C24H19N3O3S2
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.09
• IUPAC Name: 2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide
• SMILES: O=C1Nc2ccc(S(=O)(=O)Nc3nc4c(s3)CC(c3ccccc3)CC4)c3cccc1c23
• InChI: InChI=1S/C24H19N3O3S2/c28-23-17-8-4-7-16-21(12-11-19(25-23)22(16)17)32(29,30)27-24-26-18-10-9-15(13-20(18)31-24)14-5-2-1-3-6-14/h1-8,11-12,15H,9-10,13H2,(H,25,28)(H,26,27)
• InChIKey: COVHXXCIGTVOEP-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 88.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide?

The IUPAC name of 2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide (CID 167940722) is 2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide.

What is the SMILES notation for 2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide?

The canonical SMILES for 2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3nc4c(s3)CC(c3ccccc3)CC4)c3cccc1c23.

What is the InChIKey of 2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide?

The InChIKey is COVHXXCIGTVOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S2/c28-23-17-8-4-7-16-21(12-11-19(25-23)22(16)17)32(29,30)27-24-26-18-10-9-15(13-20(18)31-24)14-5-2-1-3-6-14/h1-8,11-12,15H,9-10,13H2,(H,25,28)(H,26,27).

What are the key properties of 2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide?

2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 461.57 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 167940722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).