6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol

C9H11F2NO3S — CID 117380582

IUPAC6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(F)cc(CCN)c(O)c1F
InChIInChI=1S/C9H11F2NO3S/c1-16(14,15)9-6(10)4-5(2-3-12)8(13)7(9)11/h4,13H,2-3,12H2,1H3
InChIKeyIPNSSXWGUUOVED-UHFFFAOYSA-N
MW251.25 g/mol
LogP0.58
Rot. Bonds3

About 6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol

6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol (PubChem CID 117380582) has the molecular formula C9H11F2NO3S and a molecular weight of 251.25 g/mol. Its IUPAC name is 6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol.

Molecular Properties

Compound Name6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol
PubChem CID117380582
Molecular FormulaC9H11F2NO3S
Molecular Weight251.25 g/mol
Exact Mass251.04
IUPAC Name6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(F)cc(CCN)c(O)c1F
InChIInChI=1S/C9H11F2NO3S/c1-16(14,15)9-6(10)4-5(2-3-12)8(13)7(9)11/h4,13H,2-3,12H2,1H3
InChIKeyIPNSSXWGUUOVED-UHFFFAOYSA-N
XLogP0.58
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-difluoro-2-hydroxy-4-methylsulfonylphenyl)butanoic acid
CID 117474669
3-(3,5-difluoro-2-hydroxy-4-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117474660
6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol
CID 117337806
2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol
CID 117490642
2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341937
6-(1-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117380581
2-(2,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341939
6-(1-aminocyclopropyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117412067
1-(2,3,5-trifluoro-4-methylsulfonylphenyl)propan-2-ol
CID 117424014
ethyl 2-(3,5-difluoro-2-hydroxy-4-methylsulfonylphenyl)-2-hydroxyacetate
CID 117495234
6-(1-aminocyclobutyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117444056
4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol
CID 117370179

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol?
The IUPAC name of 6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol (CID 117380582) is 6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol.
What is the SMILES notation for 6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol?
The canonical SMILES for 6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol is CS(=O)(=O)c1c(F)cc(CCN)c(O)c1F.
What is the InChIKey of 6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol?
The InChIKey is IPNSSXWGUUOVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3S/c1-16(14,15)9-6(10)4-5(2-3-12)8(13)7(9)11/h4,13H,2-3,12H2,1H3.
What are the key properties of 6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol?
6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol has a molecular weight of 251.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol is sourced from PubChem (CID 117380582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).