3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide

C23H23NO4S — CID 39665559

IUPAC3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2cccc(COCc3ccccc3)c2)c1
InChIInChI=1S/C23H23NO4S/c1-18(25)22-11-6-12-23(14-22)29(26,27)24-15-20-9-5-10-21(13-20)17-28-16-19-7-3-2-4-8-19/h2-14,24H,15-17H2,1H3
InChIKeyYABXRMRAFRRARJ-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.08
Rot. Bonds9

About 3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide

3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 39665559) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID39665559
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC Name3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCc2cccc(COCc3ccccc3)c2)c1
InChIInChI=1S/C23H23NO4S/c1-18(25)22-11-6-12-23(14-22)29(26,27)24-15-20-9-5-10-21(13-20)17-28-16-19-7-3-2-4-8-19/h2-14,24H,15-17H2,1H3
InChIKeyYABXRMRAFRRARJ-UHFFFAOYSA-N
XLogP4.08
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733
3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
CID 110780917
[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191371
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800
3-[(3-bromophenyl)methylsulfamoyl]benzoic acid
CID 61401315
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
1-phenylethyl 3-(benzylsulfamoyl)benzoate
CID 16520938
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122252827
(1-amino-1-oxopropan-2-yl) 3-(benzylsulfamoyl)benzoate
CID 42900603

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide (CID 39665559) is 3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCc2cccc(COCc3ccccc3)c2)c1.
What is the InChIKey of 3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is YABXRMRAFRRARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-18(25)22-11-6-12-23(14-22)29(26,27)24-15-20-9-5-10-21(13-20)17-28-16-19-7-3-2-4-8-19/h2-14,24H,15-17H2,1H3.
What are the key properties of 3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide?
3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 39665559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).