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

C10H12N2O3S — CID 804208

IUPAC1-acetyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C10H12N2O3S/c1-7(13)12-5-4-8-6-9(16(11,14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3,(H2,11,14,15)
InChIKeyCIIBOYDDEVWHOY-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.24
Rot. Bonds1

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

1-acetyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 804208) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-acetyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-2,3-dihydroindole-5-sulfonamide
PubChem CID804208
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name1-acetyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C10H12N2O3S/c1-7(13)12-5-4-8-6-9(16(11,14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3,(H2,11,14,15)
InChIKeyCIIBOYDDEVWHOY-UHFFFAOYSA-N
XLogP0.24
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-2,3-dihydroindole-5-sulfonamide (CID 804208) is 1-acetyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-acetyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is CIIBOYDDEVWHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-7(13)12-5-4-8-6-9(16(11,14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3,(H2,11,14,15).
What are the key properties of 1-acetyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 240.28 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 804208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).