2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide

C23H16N2O4S — CID 52698680

IUPAC2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cccc(Oc4ccccc4)c3)c3cccc1c23
InChIInChI=1S/C23H16N2O4S/c26-23-19-11-5-10-18-21(13-12-20(24-23)22(18)19)30(27,28)25-15-6-4-9-17(14-15)29-16-7-2-1-3-8-16/h1-14,25H,(H,24,26)
InChIKeyCJOFBWUDXKFNDN-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.00
Rot. Bonds5

About 2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide

2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 52698680) has the molecular formula C23H16N2O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
PubChem CID52698680
Molecular FormulaC23H16N2O4S
Molecular Weight416.46 g/mol
Exact Mass416.08
IUPAC Name2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cccc(Oc4ccccc4)c3)c3cccc1c23
InChIInChI=1S/C23H16N2O4S/c26-23-19-11-5-10-18-21(13-12-20(24-23)22(18)19)30(27,28)25-15-6-4-9-17(14-15)29-16-7-2-1-3-8-16/h1-14,25H,(H,24,26)
InChIKeyCJOFBWUDXKFNDN-UHFFFAOYSA-N
XLogP5.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of 2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide (CID 52698680) is 2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3cccc(Oc4ccccc4)c3)c3cccc1c23.
What is the InChIKey of 2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is CJOFBWUDXKFNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O4S/c26-23-19-11-5-10-18-21(13-12-20(24-23)22(18)19)30(27,28)25-15-6-4-9-17(14-15)29-16-7-2-1-3-8-16/h1-14,25H,(H,24,26).
What are the key properties of 2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide?
2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 416.46 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-phenoxyphenyl)-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 52698680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).