3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one

C10H11F2NO3S — CID 117412069

IUPAC3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one
SMILESCS(=O)(=O)c1cc(F)c(F)c(C(=O)CCN)c1
InChIInChI=1S/C10H11F2NO3S/c1-17(15,16)6-4-7(9(14)2-3-13)10(12)8(11)5-6/h4-5H,2-3,13H2,1H3
InChIKeyRHOHDLJASBTGRO-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.90
Rot. Bonds4

About 3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one

3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one (PubChem CID 117412069) has the molecular formula C10H11F2NO3S and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one
PubChem CID117412069
Molecular FormulaC10H11F2NO3S
Molecular Weight263.26 g/mol
Exact Mass263.04
IUPAC Name3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one
SMILESCS(=O)(=O)c1cc(F)c(F)c(C(=O)CCN)c1
InChIInChI=1S/C10H11F2NO3S/c1-17(15,16)6-4-7(9(14)2-3-13)10(12)8(11)5-6/h4-5H,2-3,13H2,1H3
InChIKeyRHOHDLJASBTGRO-UHFFFAOYSA-N
XLogP0.90
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(5-ethyl-2,3-difluorophenyl)propan-1-one
CID 117303820
3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375869
3-amino-1-(5-bromo-2,3,4-trifluorophenyl)propan-1-one
CID 117452875
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375876
3-amino-1-(3,4,5-trifluorophenyl)propan-1-one
CID 131141781
3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one
CID 84774234
3-amino-1-(3-bromo-2,5-difluorophenyl)propan-1-one
CID 117414290
3-amino-1-(2,6-difluoro-3-methylsulfonylphenyl)propan-1-one
CID 117412070
2-bromo-1-(2-fluoro-5-methylsulfonylphenyl)ethanone
CID 99770936
2-bromo-1-(2-fluoro-4-methylsulfonylphenyl)ethanone
CID 11173933
(2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 114973502
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378642

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one (CID 117412069) is 3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one is CS(=O)(=O)c1cc(F)c(F)c(C(=O)CCN)c1.
What is the InChIKey of 3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one?
The InChIKey is RHOHDLJASBTGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3S/c1-17(15,16)6-4-7(9(14)2-3-13)10(12)8(11)5-6/h4-5H,2-3,13H2,1H3.
What are the key properties of 3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one?
3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one has a molecular weight of 263.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one is sourced from PubChem (CID 117412069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).