N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide

C22H19F2NO4S — CID 24624799

IUPACN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1
InChIInChI=1S/C22H19F2NO4S/c1-30(27,28)20-10-6-5-9-18(20)21(26)25-17-11-12-19(29-22(23)24)16(14-17)13-15-7-3-2-4-8-15/h2-12,14,22H,13H2,1H3,(H,25,26)
InChIKeySNAQCUWALDSILK-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.53
Rot. Bonds7

About N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide

N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide (PubChem CID 24624799) has the molecular formula C22H19F2NO4S and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide
PubChem CID24624799
Molecular FormulaC22H19F2NO4S
Molecular Weight431.46 g/mol
Exact Mass431.10
IUPAC NameN-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1
InChIInChI=1S/C22H19F2NO4S/c1-30(27,28)20-10-6-5-9-18(20)21(26)25-17-11-12-19(29-22(23)24)16(14-17)13-15-7-3-2-4-8-15/h2-12,14,22H,13H2,1H3,(H,25,26)
InChIKeySNAQCUWALDSILK-UHFFFAOYSA-N
XLogP4.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-benzyl-4-(difluoromethoxy)phenyl]-3-methylsulfonylbenzamide
CID 24525215
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55607654
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-oxo-1H-quinoline-3-carboxamide
CID 24624798
2-benzyl-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 55539818
N-[3-benzyl-4-(difluoromethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 55447606
N-[3-benzyl-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 18228128
N-[3-[[3-benzyl-4-(difluoromethoxy)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 25352955
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-ethoxyacetamide
CID 134032534
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)acetamide
CID 18288051
N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
CID 24533543
N-[3-benzyl-4-(difluoromethoxy)phenyl]-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 24612450
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 18205374

Frequently Asked Questions

What is the IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide (CID 24624799) is N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1.
What is the InChIKey of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide?
The InChIKey is SNAQCUWALDSILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO4S/c1-30(27,28)20-10-6-5-9-18(20)21(26)25-17-11-12-19(29-22(23)24)16(14-17)13-15-7-3-2-4-8-15/h2-12,14,22H,13H2,1H3,(H,25,26).
What are the key properties of N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide?
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide has a molecular weight of 431.46 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 24624799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).