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

C12H16N2O3S — CID 42388554

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C12H16N2O3S/c1-3-18(16,17)13-11-4-5-12-10(8-11)6-7-14(12)9(2)15/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyYZUHHHQJHKFRHY-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.36
Rot. Bonds3

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

N-(1-acetyl-2,3-dihydroindol-5-yl)ethanesulfonamide (PubChem CID 42388554) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)ethanesulfonamide
PubChem CID42388554
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C12H16N2O3S/c1-3-18(16,17)13-11-4-5-12-10(8-11)6-7-14(12)9(2)15/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyYZUHHHQJHKFRHY-UHFFFAOYSA-N
XLogP1.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.36
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)ethanesulfonamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)ethanesulfonamide (CID 42388554) is N-(1-acetyl-2,3-dihydroindol-5-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)ethanesulfonamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)ethanesulfonamide?
The InChIKey is YZUHHHQJHKFRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-3-18(16,17)13-11-4-5-12-10(8-11)6-7-14(12)9(2)15/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)ethanesulfonamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)ethanesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.36, 3 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)ethanesulfonamide is sourced from PubChem (CID 42388554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).