2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide

C10H15FN2O3S — CID 63064431

IUPAC2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1ccc(F)cc1O
InChIInChI=1S/C10H15FN2O3S/c1-7(13-4-5-17(12,15)16)9-3-2-8(11)6-10(9)14/h2-3,6-7,13-14H,4-5H2,1H3,(H2,12,15,16)
InChIKeyTWIIIXCHRYUVBE-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.47
Rot. Bonds5

About 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide

2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide (PubChem CID 63064431) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide
PubChem CID63064431
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1ccc(F)cc1O
InChIInChI=1S/C10H15FN2O3S/c1-7(13-4-5-17(12,15)16)9-3-2-8(11)6-10(9)14/h2-3,6-7,13-14H,4-5H2,1H3,(H2,12,15,16)
InChIKeyTWIIIXCHRYUVBE-UHFFFAOYSA-N
XLogP0.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
5-fluoro-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 63068848
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 104582209
5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753
1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780933
5-fluoro-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
CID 63828726
2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide
CID 107705457
2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
CID 43551890
5-fluoro-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83142009
4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide
CID 63066353
5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 63068009
2-[1-[2-[cyclopentyl(methyl)amino]ethylamino]ethyl]-5-fluorophenol
CID 63318425

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide?
The IUPAC name of 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide (CID 63064431) is 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide.
What is the SMILES notation for 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide?
The canonical SMILES for 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide is CC(NCCS(N)(=O)=O)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide?
The InChIKey is TWIIIXCHRYUVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-7(13-4-5-17(12,15)16)9-3-2-8(11)6-10(9)14/h2-3,6-7,13-14H,4-5H2,1H3,(H2,12,15,16).
What are the key properties of 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide?
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 63064431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).