3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide

C11H11F4NO3S — CID 75426435

IUPAC3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide
SMILESCS(=O)(=O)Cc1ccc(NC(=O)CC(F)(F)F)cc1F
InChIInChI=1S/C11H11F4NO3S/c1-20(18,19)6-7-2-3-8(4-9(7)12)16-10(17)5-11(13,14)15/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyVLGVMRAVJPHTNL-UHFFFAOYSA-N
MW313.27 g/mol
LogP2.26
Rot. Bonds4

About 3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide

3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide (PubChem CID 75426435) has the molecular formula C11H11F4NO3S and a molecular weight of 313.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide
PubChem CID75426435
Molecular FormulaC11H11F4NO3S
Molecular Weight313.27 g/mol
Exact Mass313.04
IUPAC Name3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide
SMILESCS(=O)(=O)Cc1ccc(NC(=O)CC(F)(F)F)cc1F
InChIInChI=1S/C11H11F4NO3S/c1-20(18,19)6-7-2-3-8(4-9(7)12)16-10(17)5-11(13,14)15/h2-4H,5-6H2,1H3,(H,16,17)
InChIKeyVLGVMRAVJPHTNL-UHFFFAOYSA-N
XLogP2.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 71970733
2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide
CID 71919701
3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 43246591
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
(E)-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)prop-2-enamide
CID 75451009
N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide
CID 65429192
N-(4-acetylphenyl)-3,3,3-trifluoropropanamide
CID 24695395
N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide
CID 64786329
2-hydroxy-5-(3,3,3-trifluoropropanoylamino)benzoic acid
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2-[4-(butanoylamino)-2-fluorophenyl]acetic acid
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N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 17483539

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide (CID 75426435) is 3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide is CS(=O)(=O)Cc1ccc(NC(=O)CC(F)(F)F)cc1F.
What is the InChIKey of 3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide?
The InChIKey is VLGVMRAVJPHTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO3S/c1-20(18,19)6-7-2-3-8(4-9(7)12)16-10(17)5-11(13,14)15/h2-4H,5-6H2,1H3,(H,16,17).
What are the key properties of 3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide?
3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide has a molecular weight of 313.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide is sourced from PubChem (CID 75426435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).