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

C11H8N2O3S — CID 697173

IUPAC2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C11H8N2O3S/c12-17(15,16)9-5-4-8-10-6(9)2-1-3-7(10)11(14)13-8/h1-5H,(H,13,14)(H2,12,15,16)
InChIKeyIAAAAIVRZUVFHS-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.05
Rot. Bonds1

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

2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 697173) has the molecular formula C11H8N2O3S and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID697173
Molecular FormulaC11H8N2O3S
Molecular Weight248.26 g/mol
Exact Mass248.03
IUPAC Name2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C11H8N2O3S/c12-17(15,16)9-5-4-8-10-6(9)2-1-3-7(10)11(14)13-8/h1-5H,(H,13,14)(H2,12,15,16)
InChIKeyIAAAAIVRZUVFHS-UHFFFAOYSA-N
XLogP1.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of 2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 697173) is 2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 2-oxo-1H-benzo[cd]indole-6-sulfonamide is NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2.
What is the InChIKey of 2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is IAAAAIVRZUVFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S/c12-17(15,16)9-5-4-8-10-6(9)2-1-3-7(10)11(14)13-8/h1-5H,(H,13,14)(H2,12,15,16).
What are the key properties of 2-oxo-1H-benzo[cd]indole-6-sulfonamide?
2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 248.26 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 697173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).