4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide

C17H18F2N2O4S — CID 26060041

IUPAC4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H18F2N2O4S/c1-21(2)26(23,24)15-6-4-3-5-13(15)11-20-16(22)12-7-9-14(10-8-12)25-17(18)19/h3-10,17H,11H2,1-2H3,(H,20,22)
InChIKeyZOAIFEPNXTYJCV-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.47
Rot. Bonds7

About 4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide

4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 26060041) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
PubChem CID26060041
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC Name4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H18F2N2O4S/c1-21(2)26(23,24)15-6-4-3-5-13(15)11-20-16(22)12-7-9-14(10-8-12)25-17(18)19/h3-10,17H,11H2,1-2H3,(H,20,22)
InChIKeyZOAIFEPNXTYJCV-UHFFFAOYSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 33457323
4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
CID 40650902
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
CID 42935570
4-tert-butyl-N-[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 26060387
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
CID 34429535
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329
4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837749
2-chloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 41266673
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine
CID 111678220
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-propan-2-ylsulfanylbenzamide
CID 51319254
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55687228
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide (CID 26060041) is 4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is ZOAIFEPNXTYJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-21(2)26(23,24)15-6-4-3-5-13(15)11-20-16(22)12-7-9-14(10-8-12)25-17(18)19/h3-10,17H,11H2,1-2H3,(H,20,22).
What are the key properties of 4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide?
4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide has a molecular weight of 384.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 26060041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).