N-methyl-4-phenacylbenzenesulfonamide

C15H15NO3S — CID 63199150

IUPACN-methyl-4-phenacylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-16-20(18,19)14-9-7-12(8-10-14)11-15(17)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKeyCIZZVLGCMLHUTI-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.02
Rot. Bonds5

About N-methyl-4-phenacylbenzenesulfonamide

N-methyl-4-phenacylbenzenesulfonamide (PubChem CID 63199150) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-methyl-4-phenacylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-phenacylbenzenesulfonamide
PubChem CID63199150
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-methyl-4-phenacylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-16-20(18,19)14-9-7-12(8-10-14)11-15(17)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKeyCIZZVLGCMLHUTI-UHFFFAOYSA-N
XLogP2.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methylsulfamoyl)phenyl]acetamide
CID 118211828
2-[4-(difluoromethylsulfonyl)phenyl]-1-phenylethanone
CID 63199057
4-[(benzylamino)methyl]-N-methylbenzenesulfonamide
CID 139319386
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate
CID 55404127
3-(4-benzoylphenyl)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 177005008
(2R)-2-[[4-[2-(4-methylphenyl)-2-oxoethyl]phenyl]sulfonylamino]propanoic acid
CID 67589218
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
4-phenacylbenzoyl iodide
CID 142013538
1,2-diphenylethanone;diphenylmethanone
CID 141067729
4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 18159034
ethane;methane;N-methylbenzenesulfonamide
CID 159487495
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenacylbenzenesulfonamide?
The IUPAC name of N-methyl-4-phenacylbenzenesulfonamide (CID 63199150) is N-methyl-4-phenacylbenzenesulfonamide.
What is the SMILES notation for N-methyl-4-phenacylbenzenesulfonamide?
The canonical SMILES for N-methyl-4-phenacylbenzenesulfonamide is CNS(=O)(=O)c1ccc(CC(=O)c2ccccc2)cc1.
What is the InChIKey of N-methyl-4-phenacylbenzenesulfonamide?
The InChIKey is CIZZVLGCMLHUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-16-20(18,19)14-9-7-12(8-10-14)11-15(17)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3.
What are the key properties of N-methyl-4-phenacylbenzenesulfonamide?
N-methyl-4-phenacylbenzenesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenacylbenzenesulfonamide is sourced from PubChem (CID 63199150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).