2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide

C15H14FNO3S — CID 90834419

IUPAC2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(CC(N)=O)c(F)c1
InChIInChI=1S/C15H14FNO3S/c1-21(19,20)14-5-3-2-4-12(14)10-6-7-11(9-15(17)18)13(16)8-10/h2-8H,9H2,1H3,(H2,17,18)
InChIKeySVJNTGQHUJAQBC-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.92
Rot. Bonds4

About 2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide

2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide (PubChem CID 90834419) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide
PubChem CID90834419
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(CC(N)=O)c(F)c1
InChIInChI=1S/C15H14FNO3S/c1-21(19,20)14-5-3-2-4-12(14)10-6-7-11(9-15(17)18)13(16)8-10/h2-8H,9H2,1H3,(H2,17,18)
InChIKeySVJNTGQHUJAQBC-UHFFFAOYSA-N
XLogP1.92
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide?
The IUPAC name of 2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide (CID 90834419) is 2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide?
The canonical SMILES for 2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide is CS(=O)(=O)c1ccccc1-c1ccc(CC(N)=O)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide?
The InChIKey is SVJNTGQHUJAQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-21(19,20)14-5-3-2-4-12(14)10-6-7-11(9-15(17)18)13(16)8-10/h2-8H,9H2,1H3,(H2,17,18).
What are the key properties of 2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide?
2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]acetamide is sourced from PubChem (CID 90834419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).