1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide

C16H26N2O3SSi — CID 166596719

IUPAC1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C16H26N2O3SSi/c1-12(19)18-10-9-13-11-14(7-8-15(13)18)22(20,21)17-23(5,6)16(2,3)4/h7-8,11,17H,9-10H2,1-6H3
InChIKeyAWIIHGSPVKXAIZ-UHFFFAOYSA-N
MW354.55 g/mol
LogP2.88
Rot. Bonds3

About 1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 166596719) has the molecular formula C16H26N2O3SSi and a molecular weight of 354.55 g/mol. Its IUPAC name is 1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID166596719
Molecular FormulaC16H26N2O3SSi
Molecular Weight354.55 g/mol
Exact Mass354.14
IUPAC Name1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C16H26N2O3SSi/c1-12(19)18-10-9-13-11-14(7-8-15(13)18)22(20,21)17-23(5,6)16(2,3)4/h7-8,11,17H,9-10H2,1-6H3
InChIKeyAWIIHGSPVKXAIZ-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-pyrimidin-5-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 154861806
1-acetyl-N-(1-tert-butylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 86858460
1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 112504860
1-acetyl-N-(3,5-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453923
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-tert-butyl-3H-benzimidazol-5-yl)-2,3-dihydroindole-5-sulfonamide
CID 78820343
(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide
CID 117038028
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-acetyl-N-[1-(hydroxymethyl)cyclopropyl]-2,3-dihydroindole-5-sulfonamide
CID 115902948

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide (CID 166596719) is 1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)ccc21.
What is the InChIKey of 1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is AWIIHGSPVKXAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3SSi/c1-12(19)18-10-9-13-11-14(7-8-15(13)18)22(20,21)17-23(5,6)16(2,3)4/h7-8,11,17H,9-10H2,1-6H3.
What are the key properties of 1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 354.55 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 166596719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).