1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide

C10H10F3NO3S — CID 162429671

IUPAC1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide
SMILESCC(NS(=O)(=O)C(F)(F)F)C(=O)c1ccccc1
InChIInChI=1S/C10H10F3NO3S/c1-7(14-18(16,17)10(11,12)13)9(15)8-5-3-2-4-6-8/h2-7,14H,1H3
InChIKeyQMSCUHDQDACSPH-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.70
Rot. Bonds4

About 1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide

1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide (PubChem CID 162429671) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide
PubChem CID162429671
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC Name1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide
SMILESCC(NS(=O)(=O)C(F)(F)F)C(=O)c1ccccc1
InChIInChI=1S/C10H10F3NO3S/c1-7(14-18(16,17)10(11,12)13)9(15)8-5-3-2-4-6-8/h2-7,14H,1H3
InChIKeyQMSCUHDQDACSPH-UHFFFAOYSA-N
XLogP1.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide (CID 162429671) is 1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide is CC(NS(=O)(=O)C(F)(F)F)C(=O)c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide?
The InChIKey is QMSCUHDQDACSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c1-7(14-18(16,17)10(11,12)13)9(15)8-5-3-2-4-6-8/h2-7,14H,1H3.
What are the key properties of 1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide?
1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide has a molecular weight of 281.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(1-oxo-1-phenylpropan-2-yl)methanesulfonamide is sourced from PubChem (CID 162429671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).