2,3-dioxo-1H-indole-4-sulfonamide

C8H6N2O4S — CID 119087461

IUPAC2,3-dioxo-1H-indole-4-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1C(=O)C(=O)N2
InChIInChI=1S/C8H6N2O4S/c9-15(13,14)5-3-1-2-4-6(5)7(11)8(12)10-4/h1-3H,(H2,9,13,14)(H,10,11,12)
InChIKeyDSCJHVAUBSLHLN-UHFFFAOYSA-N
MW226.21 g/mol
LogP-0.53
Rot. Bonds1

About 2,3-dioxo-1H-indole-4-sulfonamide

2,3-dioxo-1H-indole-4-sulfonamide (PubChem CID 119087461) has the molecular formula C8H6N2O4S and a molecular weight of 226.21 g/mol. Its IUPAC name is 2,3-dioxo-1H-indole-4-sulfonamide.

Molecular Properties

Compound Name2,3-dioxo-1H-indole-4-sulfonamide
PubChem CID119087461
Molecular FormulaC8H6N2O4S
Molecular Weight226.21 g/mol
Exact Mass226.00
IUPAC Name2,3-dioxo-1H-indole-4-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1C(=O)C(=O)N2
InChIInChI=1S/C8H6N2O4S/c9-15(13,14)5-3-1-2-4-6(5)7(11)8(12)10-4/h1-3H,(H2,9,13,14)(H,10,11,12)
InChIKeyDSCJHVAUBSLHLN-UHFFFAOYSA-N
XLogP-0.53
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 12142411
Sodium 2,3-dioxoindoline-5-sulfonate
CID 3657942
1H-Indole-2,3-dione, 5-(1-azetidinylsulfonyl)-
CID 9903426
N-(2-methoxyethyl)-N-methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 10851609
5-(Pyrrolidin-1-ylsulfonyl)indoline-2,3-dione
CID 4117381
5-(piperidin-1-ylsulfonyl)-1H-indole-2,3-dione
CID 4117383
1H-Indole-2,3-dione, 5-((4-methyl-1-piperidinyl)sulfonyl)-
CID 4117477
5-(Azepan-1-ylsulfonyl)-1H-indole-2,3-dione
CID 9839586
5-(2-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
CID 73056762
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
CID 76320984
5-(4-methylpiperazin-1-yl)sulfonyl-1H-indole-2,3-dione
CID 58589722
N-(1,1,3-trioxo-1,2-benzothiazol-5-yl)acetamide
CID 132596304

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-1H-indole-4-sulfonamide?
The IUPAC name of 2,3-dioxo-1H-indole-4-sulfonamide (CID 119087461) is 2,3-dioxo-1H-indole-4-sulfonamide.
What is the SMILES notation for 2,3-dioxo-1H-indole-4-sulfonamide?
The canonical SMILES for 2,3-dioxo-1H-indole-4-sulfonamide is NS(=O)(=O)c1cccc2c1C(=O)C(=O)N2.
What is the InChIKey of 2,3-dioxo-1H-indole-4-sulfonamide?
The InChIKey is DSCJHVAUBSLHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4S/c9-15(13,14)5-3-1-2-4-6(5)7(11)8(12)10-4/h1-3H,(H2,9,13,14)(H,10,11,12).
What are the key properties of 2,3-dioxo-1H-indole-4-sulfonamide?
2,3-dioxo-1H-indole-4-sulfonamide has a molecular weight of 226.21 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-1H-indole-4-sulfonamide is sourced from PubChem (CID 119087461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).