N-(3-acetylphenyl)ethanesulfonamide

C10H13NO3S — CID 902979

IUPACN-(3-acetylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C10H13NO3S/c1-3-15(13,14)11-10-6-4-5-9(7-10)8(2)12/h4-7,11H,3H2,1-2H3
InChIKeyAVTGNTBRNQOBRF-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.65
Rot. Bonds4

About N-(3-acetylphenyl)ethanesulfonamide

N-(3-acetylphenyl)ethanesulfonamide (PubChem CID 902979) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(3-acetylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)ethanesulfonamide
PubChem CID902979
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-(3-acetylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C10H13NO3S/c1-3-15(13,14)11-10-6-4-5-9(7-10)8(2)12/h4-7,11H,3H2,1-2H3
InChIKeyAVTGNTBRNQOBRF-UHFFFAOYSA-N
XLogP1.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)ethanesulfonamide?
The IUPAC name of N-(3-acetylphenyl)ethanesulfonamide (CID 902979) is N-(3-acetylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)ethanesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)ethanesulfonamide?
The InChIKey is AVTGNTBRNQOBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-15(13,14)11-10-6-4-5-9(7-10)8(2)12/h4-7,11H,3H2,1-2H3.
What are the key properties of N-(3-acetylphenyl)ethanesulfonamide?
N-(3-acetylphenyl)ethanesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)ethanesulfonamide is sourced from PubChem (CID 902979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).