1-formyl-2,3-dihydroindole-5-sulfonamide

C9H10N2O3S — CID 89385398

IUPAC1-formyl-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C=O
InChIInChI=1S/C9H10N2O3S/c10-15(13,14)8-1-2-9-7(5-8)3-4-11(9)6-12/h1-2,5-6H,3-4H2,(H2,10,13,14)
InChIKeyOMPCQVUVGTVPKF-UHFFFAOYSA-N
MW226.26 g/mol
LogP-0.15
Rot. Bonds2

About 1-formyl-2,3-dihydroindole-5-sulfonamide

1-formyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 89385398) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 1-formyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-formyl-2,3-dihydroindole-5-sulfonamide
PubChem CID89385398
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name1-formyl-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C=O
InChIInChI=1S/C9H10N2O3S/c10-15(13,14)8-1-2-9-7(5-8)3-4-11(9)6-12/h1-2,5-6H,3-4H2,(H2,10,13,14)
InChIKeyOMPCQVUVGTVPKF-UHFFFAOYSA-N
XLogP-0.15
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2,3-dihydroindole-1-carbaldehyde
CID 119090717
5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde
CID 82503449
1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 62998922
1-formyl-2,3-dihydroindole-5-carboxylic acid
CID 61147748
3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 158071157
1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide
CID 28917333
1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 52882056
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 60531722
1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 56561787
1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 55895275

Frequently Asked Questions

What is the IUPAC name of 1-formyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-formyl-2,3-dihydroindole-5-sulfonamide (CID 89385398) is 1-formyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-formyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-formyl-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2C=O.
What is the InChIKey of 1-formyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is OMPCQVUVGTVPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c10-15(13,14)8-1-2-9-7(5-8)3-4-11(9)6-12/h1-2,5-6H,3-4H2,(H2,10,13,14).
What are the key properties of 1-formyl-2,3-dihydroindole-5-sulfonamide?
1-formyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 226.26 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 89385398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).