2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol

C10H14FNO3S — CID 107685628

IUPAC2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol
SMILESCS(=O)(=O)CCNCc1ccc(O)c(F)c1
InChIInChI=1S/C10H14FNO3S/c1-16(14,15)5-4-12-7-8-2-3-10(13)9(11)6-8/h2-3,6,12-13H,4-5,7H2,1H3
InChIKeySVRWSVDVYWACAD-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.67
Rot. Bonds5

About 2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol

2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol (PubChem CID 107685628) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol
PubChem CID107685628
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol
SMILESCS(=O)(=O)CCNCc1ccc(O)c(F)c1
InChIInChI=1S/C10H14FNO3S/c1-16(14,15)5-4-12-7-8-2-3-10(13)9(11)6-8/h2-3,6,12-13H,4-5,7H2,1H3
InChIKeySVRWSVDVYWACAD-UHFFFAOYSA-N
XLogP0.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-methylethanesulfonamide
CID 106333461
2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 54932020
N-[(3,4-difluorophenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54906046
2,6-difluoro-4-[(3-methylsulfonylpropylamino)methyl]phenol
CID 79831222
2-fluoro-4-[(3-hydroxybutylamino)methyl]phenol
CID 107685808
4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
CID 107685294
5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide
CID 114161742
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905810
N-[(4-chloro-3-methylphenyl)methyl]-2-methylsulfonylethanamine
CID 103991082
2-fluoro-4-[(4-methylsulfonylanilino)methyl]phenol
CID 107685275
4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
CID 107685805
N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731622

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol?
The IUPAC name of 2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol (CID 107685628) is 2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol?
The canonical SMILES for 2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol is CS(=O)(=O)CCNCc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol?
The InChIKey is SVRWSVDVYWACAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-16(14,15)5-4-12-7-8-2-3-10(13)9(11)6-8/h2-3,6,12-13H,4-5,7H2,1H3.
What are the key properties of 2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol?
2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol has a molecular weight of 247.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-methylsulfonylethylamino)methyl]phenol is sourced from PubChem (CID 107685628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).