4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide

C17H16F4N2O3S — CID 154705116

IUPAC4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CS(=O)(=O)NCC(F)(F)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F4N2O3S/c1-22-16(24)12-4-2-11(3-5-12)9-27(25,26)23-10-17(20,21)14-7-6-13(18)8-15(14)19/h2-8,23H,9-10H2,1H3,(H,22,24)
InChIKeyUWTLCOQOYASYHC-UHFFFAOYSA-N
MW404.39 g/mol
LogP2.54
Rot. Bonds7

About 4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide

4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide (PubChem CID 154705116) has the molecular formula C17H16F4N2O3S and a molecular weight of 404.39 g/mol. Its IUPAC name is 4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide
PubChem CID154705116
Molecular FormulaC17H16F4N2O3S
Molecular Weight404.39 g/mol
Exact Mass404.08
IUPAC Name4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CS(=O)(=O)NCC(F)(F)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F4N2O3S/c1-22-16(24)12-4-2-11(3-5-12)9-27(25,26)23-10-17(20,21)14-7-6-13(18)8-15(14)19/h2-8,23H,9-10H2,1H3,(H,22,24)
InChIKeyUWTLCOQOYASYHC-UHFFFAOYSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide
CID 28620047
4-[(2,4-dihydroxyphenyl)methylsulfamoylmethyl]-N-methylbenzamide
CID 167811468
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
N-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]sulfamoylmethyl]benzamide
CID 124733672
sodium [4-(methylcarbamoyl)phenyl]methanesulfonate
CID 59940234
methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate
CID 92681454
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide
CID 111335508
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119988176
N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 27005483
2-bromo-N-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]benzamide
CID 125465006
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 139001218
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide
CID 10316216

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide?
The IUPAC name of 4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide (CID 154705116) is 4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide is CNC(=O)c1ccc(CS(=O)(=O)NCC(F)(F)c2ccc(F)cc2F)cc1.
What is the InChIKey of 4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide?
The InChIKey is UWTLCOQOYASYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O3S/c1-22-16(24)12-4-2-11(3-5-12)9-27(25,26)23-10-17(20,21)14-7-6-13(18)8-15(14)19/h2-8,23H,9-10H2,1H3,(H,22,24).
What are the key properties of 4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide?
4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide has a molecular weight of 404.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-difluorophenyl)-2,2-difluoroethyl]sulfamoylmethyl]-N-methylbenzamide is sourced from PubChem (CID 154705116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).