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

C14H11N3O4S — CID 59763032

IUPAC2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCc3ccncc3)cc2C1=O
InChIInChI=1S/C14H11N3O4S/c18-13-11-7-10(1-2-12(11)17-14(13)19)22(20,21)16-8-9-3-5-15-6-4-9/h1-7,16H,8H2,(H,17,18,19)
InChIKeyOITKBJCFNTVAFG-UHFFFAOYSA-N
MW317.33 g/mol
LogP0.69
Rot. Bonds4

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

2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide (PubChem CID 59763032) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is 2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide
PubChem CID59763032
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC Name2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCc3ccncc3)cc2C1=O
InChIInChI=1S/C14H11N3O4S/c18-13-11-7-10(1-2-12(11)17-14(13)19)22(20,21)16-8-9-3-5-15-6-4-9/h1-7,16H,8H2,(H,17,18,19)
InChIKeyOITKBJCFNTVAFG-UHFFFAOYSA-N
XLogP0.69
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 110759458
3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide
CID 50759890
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821
N-[(1-ethylcyclopropyl)methyl]-2,3-dioxo-1H-indole-5-sulfonamide
CID 126803443
3-amino-4-bromo-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 115328707
N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35764559
3-fluoro-4-nitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 82846618
N-[(4-methylphenyl)methyl]-3-oxo-1,2-dihydroisoindole-5-sulfonamide
CID 46361592
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
CID 110760126
2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide
CID 46281903
5-(aminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 114138779
2-iodo-5-(pyridin-4-ylmethylsulfamoyl)benzoic acid
CID 103962241

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide?
The IUPAC name of 2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide (CID 59763032) is 2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide is O=C1Nc2ccc(S(=O)(=O)NCc3ccncc3)cc2C1=O.
What is the InChIKey of 2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide?
The InChIKey is OITKBJCFNTVAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c18-13-11-7-10(1-2-12(11)17-14(13)19)22(20,21)16-8-9-3-5-15-6-4-9/h1-7,16H,8H2,(H,17,18,19).
What are the key properties of 2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide?
2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide has a molecular weight of 317.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 59763032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).