N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide

C10H12F2N2O3S — CID 43232974

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C10H12F2N2O3S/c1-13-6-9(15)14-7-4-2-3-5-8(7)18(16,17)10(11)12/h2-5,10,13H,6H2,1H3,(H,14,15)
InChIKeyVYCHNKALKQFTCY-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.84
Rot. Bonds5

About N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide

N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide (PubChem CID 43232974) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide
PubChem CID43232974
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C10H12F2N2O3S/c1-13-6-9(15)14-7-4-2-3-5-8(7)18(16,17)10(11)12/h2-5,10,13H,6H2,1H3,(H,14,15)
InChIKeyVYCHNKALKQFTCY-UHFFFAOYSA-N
XLogP0.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide (CID 43232974) is N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide is CNCC(=O)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide?
The InChIKey is VYCHNKALKQFTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c1-13-6-9(15)14-7-4-2-3-5-8(7)18(16,17)10(11)12/h2-5,10,13H,6H2,1H3,(H,14,15).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide?
N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide has a molecular weight of 278.28 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide is sourced from PubChem (CID 43232974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).