2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine

C10H13F2NO2S — CID 117375876

IUPAC2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
SMILESCC(CN)c1cc(S(C)(=O)=O)cc(F)c1F
InChIInChI=1S/C10H13F2NO2S/c1-6(5-13)8-3-7(16(2,14)15)4-9(11)10(8)12/h3-4,6H,5,13H2,1-2H3
InChIKeyGLWPABSRZMDQOM-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.43
Rot. Bonds3

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

2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine (PubChem CID 117375876) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
PubChem CID117375876
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Name2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
SMILESCC(CN)c1cc(S(C)(=O)=O)cc(F)c1F
InChIInChI=1S/C10H13F2NO2S/c1-6(5-13)8-3-7(16(2,14)15)4-9(11)10(8)12/h3-4,6H,5,13H2,1-2H3
InChIKeyGLWPABSRZMDQOM-UHFFFAOYSA-N
XLogP1.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378642
1-(2,3-difluoro-5-methylsulfonylphenyl)ethanol
CID 117344397
2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375869
3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one
CID 117412069
3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol
CID 84803337
N-(1-amino-4-methylpentan-2-yl)-3,4,5-trifluorobenzenesulfonamide
CID 119983411
N-(1-aminopropan-2-yl)-3,4,5-trifluoro-N-methylbenzenesulfonamide
CID 119982906
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine
CID 117407315
N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
2-(2,5-difluoro-3,6-dimethylphenyl)propan-1-amine
CID 117288685
(2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117490052

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine?
The IUPAC name of 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine (CID 117375876) is 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine?
The canonical SMILES for 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine is CC(CN)c1cc(S(C)(=O)=O)cc(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine?
The InChIKey is GLWPABSRZMDQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-6(5-13)8-3-7(16(2,14)15)4-9(11)10(8)12/h3-4,6H,5,13H2,1-2H3.
What are the key properties of 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine?
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine has a molecular weight of 249.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine is sourced from PubChem (CID 117375876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).