4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide

C16H17NO3S — CID 16743861

IUPAC4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-13-7-9-15(10-8-13)21(19,20)17-16(11-12-18)14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3
InChIKeyQEPLHIIYDWWWJD-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.60
Rot. Bonds6

About 4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide

4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide (PubChem CID 16743861) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
PubChem CID16743861
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-13-7-9-15(10-8-13)21(19,20)17-16(11-12-18)14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3
InChIKeyQEPLHIIYDWWWJD-UHFFFAOYSA-N
XLogP2.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide
CID 102380276
N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945
N-[(1S)-4-chloro-3-oxo-1-phenylbutyl]-4-methylbenzenesulfonamide
CID 134499747
4-methyl-N-[1-(3-methylphenyl)but-3-enyl]benzenesulfonamide
CID 139241352
4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide
CID 152503716
3-(4-methylphenyl)sulfonyl-3-phenylpropanal
CID 12538999
N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide
CID 10968664
[2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl] propanoate
CID 122211844
4-methyl-N-[1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]benzenesulfonamide
CID 102133707

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide (CID 16743861) is 4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CC=O)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide?
The InChIKey is QEPLHIIYDWWWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-13-7-9-15(10-8-13)21(19,20)17-16(11-12-18)14-5-3-2-4-6-14/h2-10,12,16-17H,11H2,1H3.
What are the key properties of 4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide?
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 16743861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).