N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide

C16H13F2NO4S — CID 23409059

IUPACN-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)CC(=O)c1ccc(F)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H13F2NO4S/c17-12-3-1-11(2-4-12)15(20)9-24(22,23)10-16(21)19-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,21)
InChIKeyMVRAQZQSSAQGCF-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.20
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide

N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide (PubChem CID 23409059) has the molecular formula C16H13F2NO4S and a molecular weight of 353.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
PubChem CID23409059
Molecular FormulaC16H13F2NO4S
Molecular Weight353.35 g/mol
Exact Mass353.05
IUPAC NameN-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)CC(=O)c1ccc(F)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H13F2NO4S/c17-12-3-1-11(2-4-12)15(20)9-24(22,23)10-16(21)19-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,21)
InChIKeyMVRAQZQSSAQGCF-UHFFFAOYSA-N
XLogP2.20
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409064
N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083672
2-[2-(diethylamino)-2-oxoethyl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 39076319
N-(4-fluorophenyl)-2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]sulfonylacetamide
CID 23408144
N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083624
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide
CID 82180278
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39076339
4-(4-fluorophenyl)-4-oxo-N-(4-sulfamoylphenyl)butanamide
CID 4850003
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
CID 51186783
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 39083637

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide (CID 23409059) is N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide is O=C(CS(=O)(=O)CC(=O)c1ccc(F)cc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide?
The InChIKey is MVRAQZQSSAQGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4S/c17-12-3-1-11(2-4-12)15(20)9-24(22,23)10-16(21)19-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide?
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide has a molecular weight of 353.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide is sourced from PubChem (CID 23409059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).