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

C11H14F2N2O3S — CID 60843539

IUPAC3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H14F2N2O3S/c1-7(14)6-10(16)15-8-4-2-3-5-9(8)19(17,18)11(12)13/h2-5,7,11H,6,14H2,1H3,(H,15,16)
InChIKeyCQSZYJZROPXAQU-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.36
Rot. Bonds5

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

3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide (PubChem CID 60843539) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
PubChem CID60843539
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H14F2N2O3S/c1-7(14)6-10(16)15-8-4-2-3-5-9(8)19(17,18)11(12)13/h2-5,7,11H,6,14H2,1H3,(H,15,16)
InChIKeyCQSZYJZROPXAQU-UHFFFAOYSA-N
XLogP1.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide
CID 115593870
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
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209
2-[[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912795
3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119399933
2-amino-N-[2-(difluoromethylsulfonyl)phenyl]-2-methylpentanamide
CID 60846853
N-[2-(difluoromethylsulfonyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55340437
2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 47077896
N-tert-butyl-2-[2-(difluoromethylsulfonyl)anilino]acetamide
CID 78954690
N-[2-(difluoromethylsulfonyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 8916886

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide?
The IUPAC name of 3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide (CID 60843539) is 3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide is CC(N)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide?
The InChIKey is CQSZYJZROPXAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-7(14)6-10(16)15-8-4-2-3-5-9(8)19(17,18)11(12)13/h2-5,7,11H,6,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide?
3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide has a molecular weight of 292.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide is sourced from PubChem (CID 60843539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).