4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide

C17H19NO3S — CID 102380276

IUPAC4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(C(CC=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO3S/c1-13-3-7-15(8-4-13)17(11-12-19)18-22(20,21)16-9-5-14(2)6-10-16/h3-10,12,17-18H,11H2,1-2H3
InChIKeyWOGONIGENFQSHK-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.91
Rot. Bonds6

About 4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide

4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide (PubChem CID 102380276) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide
PubChem CID102380276
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide
SMILESCc1ccc(C(CC=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO3S/c1-13-3-7-15(8-4-13)17(11-12-19)18-22(20,21)16-9-5-14(2)6-10-16/h3-10,12,17-18H,11H2,1-2H3
InChIKeyWOGONIGENFQSHK-UHFFFAOYSA-N
XLogP2.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.91
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-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
4-methyl-N-[1-(3-methylphenyl)but-3-enyl]benzenesulfonamide
CID 139241352
N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 25019219
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254
N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
CID 22201131
4-methyl-N-[(2S)-1-oxopropan-2-yl]benzenesulfonamide
CID 18606138
4-methyl-N-(1-oxobutan-2-yl)benzenesulfonamide
CID 173407704
4-methyl-N-[(1R,2R)-2-methyl-1-(4-methylphenyl)but-3-enyl]benzenesulfonamide
CID 100938085

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide (CID 102380276) is 4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide is Cc1ccc(C(CC=O)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is WOGONIGENFQSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-3-7-15(8-4-13)17(11-12-19)18-22(20,21)16-9-5-14(2)6-10-16/h3-10,12,17-18H,11H2,1-2H3.
What are the key properties of 4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide?
4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 102380276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).