(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide

C11H12N2O4S — CID 117038028

IUPAC(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)C(N)=O)ccc21
InChIInChI=1S/C11H12N2O4S/c1-7(14)13-5-4-8-6-9(2-3-10(8)13)18(16,17)11(12)15/h2-3,6H,4-5H2,1H3,(H2,12,15)
InChIKeyBACHITNGPBVULZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.45
Rot. Bonds1

About (1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide

(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide (PubChem CID 117038028) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is (1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide.

Molecular Properties

Compound Name(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide
PubChem CID117038028
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)C(N)=O)ccc21
InChIInChI=1S/C11H12N2O4S/c1-7(14)13-5-4-8-6-9(2-3-10(8)13)18(16,17)11(12)15/h2-3,6H,4-5H2,1H3,(H2,12,15)
InChIKeyBACHITNGPBVULZ-UHFFFAOYSA-N
XLogP0.45
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 117036710
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]propanoic acid
CID 3239436
(2-carbamoylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
CID 26527621
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
1-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 3647350
1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 39419247
(4-methylphenyl) 1-acetyl-2,3-dihydroindole-5-sulfonate
CID 26526945
1-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 3238875
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946

Frequently Asked Questions

What is the IUPAC name of (1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide?
The IUPAC name of (1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide (CID 117038028) is (1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide.
What is the SMILES notation for (1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide?
The canonical SMILES for (1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide is CC(=O)N1CCc2cc(S(=O)(=O)C(N)=O)ccc21.
What is the InChIKey of (1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide?
The InChIKey is BACHITNGPBVULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-7(14)13-5-4-8-6-9(2-3-10(8)13)18(16,17)11(12)15/h2-3,6H,4-5H2,1H3,(H2,12,15).
What are the key properties of (1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide?
(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide has a molecular weight of 268.29 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide is sourced from PubChem (CID 117038028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).