N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide

C12H15F2NO3S — CID 60630209

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H15F2NO3S/c1-12(2,3)10(16)15-8-6-4-5-7-9(8)19(17,18)11(13)14/h4-7,11H,1-3H3,(H,15,16)
InChIKeyRRFAGSLBKZGDJE-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.67
Rot. Bonds3

About N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide

N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 60630209) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
PubChem CID60630209
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C12H15F2NO3S/c1-12(2,3)10(16)15-8-6-4-5-7-9(8)19(17,18)11(13)14/h4-7,11H,1-3H3,(H,15,16)
InChIKeyRRFAGSLBKZGDJE-UHFFFAOYSA-N
XLogP2.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide
CID 60846853
N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide
CID 43232974
3-[2-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 55049071
N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide
CID 60703571
3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
CID 60843539
N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide
CID 115593870
3-[2-(difluoromethylsulfonyl)anilino]-2,2-dimethylpropanoic acid
CID 115427654
N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide
CID 78954690
N-[2-(difluoromethylsulfonyl)phenyl]-1-benzofuran-2-carboxamide
CID 8916691
2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide
CID 60707701
N-(1-chloro-2-methylpropan-2-yl)-2-(difluoromethylsulfonyl)aniline
CID 65027513
2-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpropane-1,2-diamine
CID 63194149

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide (CID 60630209) is N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is RRFAGSLBKZGDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c1-12(2,3)10(16)15-8-6-4-5-7-9(8)19(17,18)11(13)14/h4-7,11H,1-3H3,(H,15,16).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide?
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 291.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 60630209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).