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

C17H12N2O3S — CID 711234

IUPAC2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccccc3)c3cccc1c23
InChIInChI=1S/C17H12N2O3S/c20-17-13-8-4-7-12-15(10-9-14(18-17)16(12)13)23(21,22)19-11-5-2-1-3-6-11/h1-10,19H,(H,18,20)
InChIKeyMCRIIUQAGNDJEN-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.21
Rot. Bonds3

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

2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 711234) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide
PubChem CID711234
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC Name2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccccc3)c3cccc1c23
InChIInChI=1S/C17H12N2O3S/c20-17-13-8-4-7-12-15(10-9-14(18-17)16(12)13)23(21,22)19-11-5-2-1-3-6-11/h1-10,19H,(H,18,20)
InChIKeyMCRIIUQAGNDJEN-UHFFFAOYSA-N
XLogP3.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of 2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide (CID 711234) is 2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3ccccc3)c3cccc1c23.
What is the InChIKey of 2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is MCRIIUQAGNDJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c20-17-13-8-4-7-12-15(10-9-14(18-17)16(12)13)23(21,22)19-11-5-2-1-3-6-11/h1-10,19H,(H,18,20).
What are the key properties of 2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide?
2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 324.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-phenyl-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 711234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).