2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide

C12H16F2N2O3S — CID 43711923

IUPAC2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H16F2N2O3S/c1-7(2)10(15)11(17)16-8-5-3-4-6-9(8)20(18,19)12(13)14/h3-7,10,12H,15H2,1-2H3,(H,16,17)
InChIKeyONUJIHOCBDNIMT-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.60
Rot. Bonds5

About 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide

2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide (PubChem CID 43711923) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide
PubChem CID43711923
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H16F2N2O3S/c1-7(2)10(15)11(17)16-8-5-3-4-6-9(8)20(18,19)12(13)14/h3-7,10,12H,15H2,1-2H3,(H,16,17)
InChIKeyONUJIHOCBDNIMT-UHFFFAOYSA-N
XLogP1.60
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide (CID 43711923) is 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide is CC(C)C(N)C(=O)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide?
The InChIKey is ONUJIHOCBDNIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-7(2)10(15)11(17)16-8-5-3-4-6-9(8)20(18,19)12(13)14/h3-7,10,12H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide?
2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide has a molecular weight of 306.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 43711923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).