N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide

C16H15F2NO3S — CID 51080764

IUPACN-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(F)cc1)NCc1ccccc1F
InChIInChI=1S/C16H15F2NO3S/c17-14-7-5-12(6-8-14)10-23(21,22)11-16(20)19-9-13-3-1-2-4-15(13)18/h1-8H,9-11H2,(H,19,20)
InChIKeyOSIPELVFIQXQDJ-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.20
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide

N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide (PubChem CID 51080764) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide
PubChem CID51080764
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(F)cc1)NCc1ccccc1F
InChIInChI=1S/C16H15F2NO3S/c17-14-7-5-12(6-8-14)10-23(21,22)11-16(20)19-9-13-3-1-2-4-15(13)18/h1-8H,9-11H2,(H,19,20)
InChIKeyOSIPELVFIQXQDJ-UHFFFAOYSA-N
XLogP2.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide (CID 51080764) is N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide is O=C(CS(=O)(=O)Cc1ccc(F)cc1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide?
The InChIKey is OSIPELVFIQXQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c17-14-7-5-12(6-8-14)10-23(21,22)11-16(20)19-9-13-3-1-2-4-15(13)18/h1-8H,9-11H2,(H,19,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide?
N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide has a molecular weight of 339.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 51080764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).