2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide

C14H11N3O4S — CID 166625805

IUPAC2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccncc1
InChIInChI=1S/C14H11N3O4S/c15-22(20,21)10-1-2-12-11(7-10)13(18)14(19)17(12)8-9-3-5-16-6-4-9/h1-7H,8H2,(H2,15,20,21)
InChIKeyZDWIPZFXMSDKLC-UHFFFAOYSA-N
MW317.33 g/mol
LogP0.46
Rot. Bonds3

About 2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide

2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide (PubChem CID 166625805) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is 2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide.

Molecular Properties

Compound Name2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide
PubChem CID166625805
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC Name2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccncc1
InChIInChI=1S/C14H11N3O4S/c15-22(20,21)10-1-2-12-11(7-10)13(18)14(19)17(12)8-9-3-5-16-6-4-9/h1-7H,8H2,(H2,15,20,21)
InChIKeyZDWIPZFXMSDKLC-UHFFFAOYSA-N
XLogP0.46
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide?
The IUPAC name of 2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide (CID 166625805) is 2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide.
What is the SMILES notation for 2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide?
The canonical SMILES for 2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccncc1.
What is the InChIKey of 2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide?
The InChIKey is ZDWIPZFXMSDKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c15-22(20,21)10-1-2-12-11(7-10)13(18)14(19)17(12)8-9-3-5-16-6-4-9/h1-7H,8H2,(H2,15,20,21).
What are the key properties of 2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide?
2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide has a molecular weight of 317.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-1-(pyridin-4-ylmethyl)indole-5-sulfonamide is sourced from PubChem (CID 166625805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).