3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide

C11H14F2N2O3S — CID 47101447

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O3S/c1-2-14-11(16)5-6-15-19(17,18)8-3-4-9(12)10(13)7-8/h3-4,7,15H,2,5-6H2,1H3,(H,14,16)
InChIKeyIUSKGMVYBQWPPA-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.77
Rot. Bonds6

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 47101447) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID47101447
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O3S/c1-2-14-11(16)5-6-15-19(17,18)8-3-4-9(12)10(13)7-8/h3-4,7,15H,2,5-6H2,1H3,(H,14,16)
InChIKeyIUSKGMVYBQWPPA-UHFFFAOYSA-N
XLogP0.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 55376345
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide
CID 46655347
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 55408072
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543919
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
CID 62664046
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 24549470

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide (CID 47101447) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is IUSKGMVYBQWPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-2-14-11(16)5-6-15-19(17,18)8-3-4-9(12)10(13)7-8/h3-4,7,15H,2,5-6H2,1H3,(H,14,16).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 292.31 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 47101447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).