3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide

C10H12F2N2O3S — CID 119315938

IUPAC3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide
SMILESNCCC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1
InChIInChI=1S/C10H12F2N2O3S/c11-10(12)18(16,17)8-3-1-2-7(6-8)14-9(15)4-5-13/h1-3,6,10H,4-5,13H2,(H,14,15)
InChIKeyKGHOMAOESHIOGL-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.97
Rot. Bonds5

About 3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide

3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide (PubChem CID 119315938) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide
PubChem CID119315938
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Name3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide
SMILESNCCC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1
InChIInChI=1S/C10H12F2N2O3S/c11-10(12)18(16,17)8-3-1-2-7(6-8)14-9(15)4-5-13/h1-3,6,10H,4-5,13H2,(H,14,15)
InChIKeyKGHOMAOESHIOGL-UHFFFAOYSA-N
XLogP0.97
TPSA89.26 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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(difluoromethylsulfonyl)phenyl]pentanamide
CID 119315948
3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide
CID 119315962
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
N-[3-(difluoromethylsulfonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938584
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide
CID 119465969
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
1-[3-(difluoromethylsulfonyl)phenyl]-3-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]urea
CID 75477409
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2499508

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide?
The IUPAC name of 3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide (CID 119315938) is 3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide is NCCC(=O)Nc1cccc(S(=O)(=O)C(F)F)c1.
What is the InChIKey of 3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide?
The InChIKey is KGHOMAOESHIOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c11-10(12)18(16,17)8-3-1-2-7(6-8)14-9(15)4-5-13/h1-3,6,10H,4-5,13H2,(H,14,15).
What are the key properties of 3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide?
3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide has a molecular weight of 278.28 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide is sourced from PubChem (CID 119315938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).