2-oxo-1-phenylpropane-1-sulfonamide

C9H11NO3S — CID 70874810

IUPAC2-oxo-1-phenylpropane-1-sulfonamide
SMILESCC(=O)C(c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C9H11NO3S/c1-7(11)9(14(10,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,10,12,13)
InChIKeyYNILZSQJAXSNRT-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.61
Rot. Bonds3

About 2-oxo-1-phenylpropane-1-sulfonamide

2-oxo-1-phenylpropane-1-sulfonamide (PubChem CID 70874810) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-oxo-1-phenylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-oxo-1-phenylpropane-1-sulfonamide
PubChem CID70874810
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-oxo-1-phenylpropane-1-sulfonamide
SMILESCC(=O)C(c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C9H11NO3S/c1-7(11)9(14(10,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,10,12,13)
InChIKeyYNILZSQJAXSNRT-UHFFFAOYSA-N
XLogP0.61
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-oxo-1-phenylpropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-phenyl-2-sulfamoylacetic acid
CID 124582466
(2R)-2-phenyl-2-sulfamoylacetamide
CID 124507731
[phenyl(sulfamoyl)methyl] acetate
CID 118097051
CID 131880668
CID 131880668
2-[(2-aminoacetyl)amino]-4-methylpentanoic acid;2-phenyl-2-sulfamoylacetic acid
CID 126602038
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
1-iodo-1-phenylpropan-2-one
CID 11322912
2-acetyl-3-phenylbutanoic acid
CID 12561389
1-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-2-one
CID 13200845
N-(2-methylsulfonyl-1,2-diphenylethylidene)hydroxylamine
CID 174925218
acetic acid;cumene
CID 172767405
3-amino-4-phenyl-4-sulfanylbutan-2-one
CID 159734825

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-phenylpropane-1-sulfonamide?
The IUPAC name of 2-oxo-1-phenylpropane-1-sulfonamide (CID 70874810) is 2-oxo-1-phenylpropane-1-sulfonamide.
What is the SMILES notation for 2-oxo-1-phenylpropane-1-sulfonamide?
The canonical SMILES for 2-oxo-1-phenylpropane-1-sulfonamide is CC(=O)C(c1ccccc1)S(N)(=O)=O.
What is the InChIKey of 2-oxo-1-phenylpropane-1-sulfonamide?
The InChIKey is YNILZSQJAXSNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-7(11)9(14(10,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,10,12,13).
What are the key properties of 2-oxo-1-phenylpropane-1-sulfonamide?
2-oxo-1-phenylpropane-1-sulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-phenylpropane-1-sulfonamide is sourced from PubChem (CID 70874810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).