2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide

C17H13N3O3S — CID 142239743

IUPAC2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2cc(-c3cc4ccccc4[nH]c3=O)[nH]c2c1
InChIInChI=1S/C17H13N3O3S/c18-24(22,23)12-6-5-11-8-16(19-15(11)9-12)13-7-10-3-1-2-4-14(10)20-17(13)21/h1-9,19H,(H,20,21)(H2,18,22,23)
InChIKeyXAJNOTRUYBYRQG-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.32
Rot. Bonds2

About 2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide

2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide (PubChem CID 142239743) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide.

Molecular Properties

Compound Name2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide
PubChem CID142239743
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2cc(-c3cc4ccccc4[nH]c3=O)[nH]c2c1
InChIInChI=1S/C17H13N3O3S/c18-24(22,23)12-6-5-11-8-16(19-15(11)9-12)13-7-10-3-1-2-4-14(10)20-17(13)21/h1-9,19H,(H,20,21)(H2,18,22,23)
InChIKeyXAJNOTRUYBYRQG-UHFFFAOYSA-N
XLogP2.32
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide?
The IUPAC name of 2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide (CID 142239743) is 2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide.
What is the SMILES notation for 2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide?
The canonical SMILES for 2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide is NS(=O)(=O)c1ccc2cc(-c3cc4ccccc4[nH]c3=O)[nH]c2c1.
What is the InChIKey of 2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide?
The InChIKey is XAJNOTRUYBYRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c18-24(22,23)12-6-5-11-8-16(19-15(11)9-12)13-7-10-3-1-2-4-14(10)20-17(13)21/h1-9,19H,(H,20,21)(H2,18,22,23).
What are the key properties of 2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide?
2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-quinolin-3-yl)-1H-indole-6-sulfonamide is sourced from PubChem (CID 142239743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).