4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide

C20H19NO3S — CID 78767045

IUPAC4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C20H19NO3S/c1-15(22)16-10-12-19(13-11-16)25(23,24)21(2)14-18-8-5-7-17-6-3-4-9-20(17)18/h3-13H,14H2,1-2H3
InChIKeyDSTBEDMOJMAYAR-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.86
Rot. Bonds5

About 4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide

4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide (PubChem CID 78767045) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide
PubChem CID78767045
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C20H19NO3S/c1-15(22)16-10-12-19(13-11-16)25(23,24)21(2)14-18-8-5-7-17-6-3-4-9-20(17)18/h3-13H,14H2,1-2H3
InChIKeyDSTBEDMOJMAYAR-UHFFFAOYSA-N
XLogP3.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide
CID 3781251
N-(dimethylsulfamoyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 47319808
6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide
CID 166403283
3-acetyl-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
CID 34107028
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26034569
4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
CID 154857610
N,N-dimethyl-4-[C-methyl-N-(naphthalen-1-ylmethoxy)carbonimidoyl]benzenesulfonamide
CID 5030884
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
4-acetyl-N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 18083392
4-acetyl-N-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 18269725

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide (CID 78767045) is 4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc23)cc1.
What is the InChIKey of 4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide?
The InChIKey is DSTBEDMOJMAYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-15(22)16-10-12-19(13-11-16)25(23,24)21(2)14-18-8-5-7-17-6-3-4-9-20(17)18/h3-13H,14H2,1-2H3.
What are the key properties of 4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide?
4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 78767045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).