1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide

C10H12N2O4S — CID 82088952

IUPAC1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NO)ccc21
InChIInChI=1S/C10H12N2O4S/c1-7(13)12-5-4-8-6-9(2-3-10(8)12)17(15,16)11-14/h2-3,6,11,14H,4-5H2,1H3
InChIKeyFUSDMWWLJJWQJQ-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.26
Rot. Bonds2

About 1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide (PubChem CID 82088952) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
PubChem CID82088952
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NO)ccc21
InChIInChI=1S/C10H12N2O4S/c1-7(13)12-5-4-8-6-9(2-3-10(8)12)17(15,16)11-14/h2-3,6,11,14H,4-5H2,1H3
InChIKeyFUSDMWWLJJWQJQ-UHFFFAOYSA-N
XLogP0.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide
CID 166596719
(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide
CID 117038028
1-acetyl-N-[1-(hydroxymethyl)cyclopropyl]-2,3-dihydroindole-5-sulfonamide
CID 115902948
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 66178167
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
1-acetyl-N-(2,5-dichlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 3164268
1-acetyl-N-[(3R)-pyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 79690713
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 117036710

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide (CID 82088952) is 1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NO)ccc21.
What is the InChIKey of 1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FUSDMWWLJJWQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-7(13)12-5-4-8-6-9(2-3-10(8)12)17(15,16)11-14/h2-3,6,11,14H,4-5H2,1H3.
What are the key properties of 1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide has a molecular weight of 256.28 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 82088952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).