4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide

C23H23NO3S — CID 101493508

IUPAC4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(CC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c1-18-12-14-22(15-13-18)28(26,27)24-17-21(19-8-4-2-5-9-19)16-23(25)20-10-6-3-7-11-20/h2-15,21,24H,16-17H2,1H3
InChIKeyUSRIGRLPJLWROS-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.33
Rot. Bonds8

About 4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide

4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide (PubChem CID 101493508) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide
PubChem CID101493508
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(CC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c1-18-12-14-22(15-13-18)28(26,27)24-17-21(19-8-4-2-5-9-19)16-23(25)20-10-6-3-7-11-20/h2-15,21,24H,16-17H2,1H3
InChIKeyUSRIGRLPJLWROS-UHFFFAOYSA-N
XLogP4.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-(cyclohexylmethyl)benzenesulfonamide
CID 4885041
4-(4-Benzoylphenyl)benzenesulfonamide
CID 122194775
2-(3-benzoylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 145978605
4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
CID 155558347
4-[2-[(3-Oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide
CID 163360684
4-acetyl-N-cyclooctylbenzenesulfonamide
CID 7938156
4-[4-[Benzyl(2-methylpropyl)sulfamoyl]phenyl]benzamide
CID 76282978
(4-Fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
4'-Acetyl-N-(5-hydroxypentyl)[1,1'-biphenyl]-4-sulfonamide
CID 16094733
N-ethyl-9,10-dioxo-9,10-dihydroanthracene-2-sulfonamide
CID 16832109
N-(2-oxo-2-phenylethyl)naphthalene-2-sulfonamide
CID 24215032
4-methyl-N-(2-oxo-2-phenylethyl)benzenesulfonamide
CID 2306777

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide (CID 101493508) is 4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(CC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide?
The InChIKey is USRIGRLPJLWROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-18-12-14-22(15-13-18)28(26,27)24-17-21(19-8-4-2-5-9-19)16-23(25)20-10-6-3-7-11-20/h2-15,21,24H,16-17H2,1H3.
What are the key properties of 4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide?
4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide has a molecular weight of 393.51 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-oxo-2,4-diphenylbutyl)benzenesulfonamide is sourced from PubChem (CID 101493508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).