4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide

C16H17NO3S — CID 14438198

IUPAC4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide
SMILESCC(=O)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H17NO3S/c1-12-8-10-15(11-9-12)21(19,20)17-16(13(2)18)14-6-4-3-5-7-14/h3-11,16-17H,1-2H3
InChIKeyORYZCAPOXRIAJT-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.60
Rot. Bonds5

About 4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide

4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide (PubChem CID 14438198) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide
PubChem CID14438198
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide
SMILESCC(=O)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H17NO3S/c1-12-8-10-15(11-9-12)21(19,20)17-16(13(2)18)14-6-4-3-5-7-14/h3-11,16-17H,1-2H3
InChIKeyORYZCAPOXRIAJT-UHFFFAOYSA-N
XLogP2.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide (CID 14438198) is 4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide is CC(=O)C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide?
The InChIKey is ORYZCAPOXRIAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12-8-10-15(11-9-12)21(19,20)17-16(13(2)18)14-6-4-3-5-7-14/h3-11,16-17H,1-2H3.
What are the key properties of 4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide?
4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxo-1-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 14438198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).