2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C17H17F2NO3S — CID 75870193

IUPAC2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO3S/c1-11(12-4-7-14(8-5-12)24(3,22)23)20(2)17(21)15-9-6-13(18)10-16(15)19/h4-11H,1-3H3
InChIKeyXRRSZTZEPVHNAN-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.20
Rot. Bonds4

About 2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 75870193) has the molecular formula C17H17F2NO3S and a molecular weight of 353.39 g/mol. Its IUPAC name is 2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID75870193
Molecular FormulaC17H17F2NO3S
Molecular Weight353.39 g/mol
Exact Mass353.09
IUPAC Name2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H17F2NO3S/c1-11(12-4-7-14(8-5-12)24(3,22)23)20(2)17(21)15-9-6-13(18)10-16(15)19/h4-11H,1-3H3
InChIKeyXRRSZTZEPVHNAN-UHFFFAOYSA-N
XLogP3.20
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 75870193) is 2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is XRRSZTZEPVHNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3S/c1-11(12-4-7-14(8-5-12)24(3,22)23)20(2)17(21)15-9-6-13(18)10-16(15)19/h4-11H,1-3H3.
What are the key properties of 2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 353.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 75870193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).