2-oxo-2-phenylethanesulfonamide

C8H9NO3S — CID 13398961

IUPAC2-oxo-2-phenylethanesulfonamide
SMILESNS(=O)(=O)CC(=O)c1ccccc1
InChIInChI=1S/C8H9NO3S/c9-13(11,12)6-8(10)7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,11,12)
InChIKeyHWALZZPNGXHTQE-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.16
Rot. Bonds3

About 2-oxo-2-phenylethanesulfonamide

2-oxo-2-phenylethanesulfonamide (PubChem CID 13398961) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-oxo-2-phenylethanesulfonamide.

Molecular Properties

Compound Name2-oxo-2-phenylethanesulfonamide
PubChem CID13398961
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-oxo-2-phenylethanesulfonamide
SMILESNS(=O)(=O)CC(=O)c1ccccc1
InChIInChI=1S/C8H9NO3S/c9-13(11,12)6-8(10)7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,11,12)
InChIKeyHWALZZPNGXHTQE-UHFFFAOYSA-N
XLogP0.16
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfonyl-1-phenylethanone
CID 19033550
sodium 2-oxo-2-phenylethanesulfonate
CID 23684703
1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone
CID 66720884
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone
CID 1116105
2-(benzenesulfonyl)-1-phenylethanone;fluoroform
CID 175573425
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
2-(3-bromophenyl)sulfonyl-1-phenylethanone
CID 64635813
2-butan-2-ylsulfonyl-1-phenylethanone
CID 64643739
2-[4-[(4-phenacylsulfonylphenyl)methyl]phenyl]sulfonyl-1-phenylethanone
CID 4607170
2-(2-methylphenyl)sulfonyl-1-phenylethanone
CID 53400632

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-phenylethanesulfonamide?
The IUPAC name of 2-oxo-2-phenylethanesulfonamide (CID 13398961) is 2-oxo-2-phenylethanesulfonamide.
What is the SMILES notation for 2-oxo-2-phenylethanesulfonamide?
The canonical SMILES for 2-oxo-2-phenylethanesulfonamide is NS(=O)(=O)CC(=O)c1ccccc1.
What is the InChIKey of 2-oxo-2-phenylethanesulfonamide?
The InChIKey is HWALZZPNGXHTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c9-13(11,12)6-8(10)7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,11,12).
What are the key properties of 2-oxo-2-phenylethanesulfonamide?
2-oxo-2-phenylethanesulfonamide has a molecular weight of 199.23 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-phenylethanesulfonamide is sourced from PubChem (CID 13398961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).