4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide

C17H20N2O4S — CID 51249500

IUPAC4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2OC)cc1
InChIInChI=1S/C17H20N2O4S/c1-18-17(20)14-10-8-13(9-11-14)12-19(2)24(21,22)16-7-5-4-6-15(16)23-3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyJHHSSWRFKJZDTN-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.88
Rot. Bonds6

About 4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide

4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide (PubChem CID 51249500) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
PubChem CID51249500
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2OC)cc1
InChIInChI=1S/C17H20N2O4S/c1-18-17(20)14-10-8-13(9-11-14)12-19(2)24(21,22)16-7-5-4-6-15(16)23-3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyJHHSSWRFKJZDTN-UHFFFAOYSA-N
XLogP1.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
N-methyl-4-[[methyl-(2-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541999
4-[[(2,4-dimethylphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542020
4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 37215281
4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542014
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529
N-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzamide
CID 112684258
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylbenzenesulfonamide
CID 51169219
4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 8966511
4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
CID 24525671
N-[(3,5-dichlorophenyl)methyl]-2-methoxy-N-methylbenzenesulfonamide
CID 166187697

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide (CID 51249500) is 4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2OC)cc1.
What is the InChIKey of 4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide?
The InChIKey is JHHSSWRFKJZDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-18-17(20)14-10-8-13(9-11-14)12-19(2)24(21,22)16-7-5-4-6-15(16)23-3/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide?
4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide has a molecular weight of 348.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 51249500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).