N-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide

C11H14N2O3S — CID 20754804

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide
SMILESCC(=O)N1CCc2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C11H14N2O3S/c1-8(14)13-6-5-9-7-10(3-4-11(9)13)12-17(2,15)16/h3-4,7,12H,5-6H2,1-2H3
InChIKeyLYBIOACSQGTKRE-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.97
Rot. Bonds2

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

N-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide (PubChem CID 20754804) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide
PubChem CID20754804
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide
SMILESCC(=O)N1CCc2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C11H14N2O3S/c1-8(14)13-6-5-9-7-10(3-4-11(9)13)12-17(2,15)16/h3-4,7,12H,5-6H2,1-2H3
InChIKeyLYBIOACSQGTKRE-UHFFFAOYSA-N
XLogP0.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide (CID 20754804) is N-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide is CC(=O)N1CCc2cc(NS(C)(=O)=O)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide?
The InChIKey is LYBIOACSQGTKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-8(14)13-6-5-9-7-10(3-4-11(9)13)12-17(2,15)16/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)methanesulfonamide is sourced from PubChem (CID 20754804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).