2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide

C12H19FN2O3S — CID 106335344

IUPAC2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
SMILESCC(NCCS(=O)(=O)N(C)C)c1ccc(O)cc1F
InChIInChI=1S/C12H19FN2O3S/c1-9(11-5-4-10(16)8-12(11)13)14-6-7-19(17,18)15(2)3/h4-5,8-9,14,16H,6-7H2,1-3H3
InChIKeyPGQWPVLANUFZCD-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.07
Rot. Bonds6

About 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide

2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide (PubChem CID 106335344) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
PubChem CID106335344
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
SMILESCC(NCCS(=O)(=O)N(C)C)c1ccc(O)cc1F
InChIInChI=1S/C12H19FN2O3S/c1-9(11-5-4-10(16)8-12(11)13)14-6-7-19(17,18)15(2)3/h4-5,8-9,14,16H,6-7H2,1-3H3
InChIKeyPGQWPVLANUFZCD-UHFFFAOYSA-N
XLogP1.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 114175052
3-fluoro-4-[1-(2-methylsulfinylethylamino)ethyl]phenol
CID 107715438
3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol
CID 107715334
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106335342
2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 107715392
tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate
CID 107715517
4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol
CID 107715500
2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 106335143
3-fluoro-4-[1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol
CID 107715270
3-fluoro-4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]phenol
CID 107715491
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide
CID 63064431

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide (CID 106335344) is 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide is CC(NCCS(=O)(=O)N(C)C)c1ccc(O)cc1F.
What is the InChIKey of 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide?
The InChIKey is PGQWPVLANUFZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-9(11-5-4-10(16)8-12(11)13)14-6-7-19(17,18)15(2)3/h4-5,8-9,14,16H,6-7H2,1-3H3.
What are the key properties of 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide?
2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106335344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).