2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide

C17H13N3O3S — CID 870241

IUPAC2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCc3ccccn3)c3cccc1c23
InChIInChI=1S/C17H13N3O3S/c21-17-13-6-3-5-12-15(8-7-14(20-17)16(12)13)24(22,23)19-10-11-4-1-2-9-18-11/h1-9,19H,10H2,(H,20,21)
InChIKeyJEJPTMLYKKNLQY-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.28
Rot. Bonds4

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

2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 870241) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide
PubChem CID870241
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCc3ccccn3)c3cccc1c23
InChIInChI=1S/C17H13N3O3S/c21-17-13-6-3-5-12-15(8-7-14(20-17)16(12)13)24(22,23)19-10-11-4-1-2-9-18-11/h1-9,19H,10H2,(H,20,21)
InChIKeyJEJPTMLYKKNLQY-UHFFFAOYSA-N
XLogP2.28
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(3Z)-2-oxo-3-[phenyl(1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indole-5-sulfonamide
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1-methyl-2-oxo-N-(2-pyridinyl)-6-benzo[cd]indolesulfonamide
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1-ethyl-2-oxo-N-(2-pyridinylmethyl)-6-benzo[cd]indolesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of 2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide (CID 870241) is 2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)NCc3ccccn3)c3cccc1c23.
What is the InChIKey of 2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is JEJPTMLYKKNLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-17-13-6-3-5-12-15(8-7-14(20-17)16(12)13)24(22,23)19-10-11-4-1-2-9-18-11/h1-9,19H,10H2,(H,20,21).
What are the key properties of 2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide?
2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(pyridin-2-ylmethyl)-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 870241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).