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

C10H13F2NO2S — CID 117375869

IUPAC3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
SMILESCS(=O)(=O)c1cc(F)c(F)c(CCCN)c1
InChIInChI=1S/C10H13F2NO2S/c1-16(14,15)8-5-7(3-2-4-13)10(12)9(11)6-8/h5-6H,2-4,13H2,1H3
InChIKeyDYEYWOQJCWTSNE-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.26
Rot. Bonds4

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

3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine (PubChem CID 117375869) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
PubChem CID117375869
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Name3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
SMILESCS(=O)(=O)c1cc(F)c(F)c(CCCN)c1
InChIInChI=1S/C10H13F2NO2S/c1-16(14,15)8-5-7(3-2-4-13)10(12)9(11)6-8/h5-6H,2-4,13H2,1H3
InChIKeyDYEYWOQJCWTSNE-UHFFFAOYSA-N
XLogP1.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378649
3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine
CID 84794355
(2,3-difluoro-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117490052
2-ethyl-6-fluoro-4-methylsulfonylaniline
CID 126485252
3-(4,5-dimethyl-2-methylsulfonylphenyl)propan-1-amine
CID 117355898
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375876
3-(2-fluoro-3-methylsulfonylphenyl)propan-1-amine
CID 117334339
4-(2,3-difluoro-5-methylphenyl)butan-1-amine
CID 117288646
3-amino-1-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-one
CID 117412069
4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol
CID 117370179
4-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]butan-1-amine
CID 117365180
3-(3-chloro-2,4,5-trifluorophenyl)propan-1-amine
CID 115113368

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine?
The IUPAC name of 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine (CID 117375869) is 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine is CS(=O)(=O)c1cc(F)c(F)c(CCCN)c1.
What is the InChIKey of 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine?
The InChIKey is DYEYWOQJCWTSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-16(14,15)8-5-7(3-2-4-13)10(12)9(11)6-8/h5-6H,2-4,13H2,1H3.
What are the key properties of 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine?
3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine has a molecular weight of 249.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine is sourced from PubChem (CID 117375869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).