4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide

C16H18N2O3S — CID 26541994

IUPAC4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-17-16(19)14-10-8-13(9-11-14)12-18(2)22(20,21)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyHFAFLXRGNYAVDX-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.87
Rot. Bonds5

About 4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide

4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide (PubChem CID 26541994) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
PubChem CID26541994
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-17-16(19)14-10-8-13(9-11-14)12-18(2)22(20,21)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyHFAFLXRGNYAVDX-UHFFFAOYSA-N
XLogP1.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
CID 24525671
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056
N-methyl-4-[[methyl-(4-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541991
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 51249500
4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
CID 109060739
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529
N-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzamide
CID 112684258
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide
CID 132666915
ethyl 4-[[benzenesulfonyl(methyl)amino]methyl]benzoate
CID 100553127
N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541999
4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide
CID 132660905

Frequently Asked Questions

What is the IUPAC name of 4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide (CID 26541994) is 4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide?
The InChIKey is HFAFLXRGNYAVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-17-16(19)14-10-8-13(9-11-14)12-18(2)22(20,21)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,17,19).
What are the key properties of 4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide?
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide has a molecular weight of 318.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 26541994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).