1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol

C12H17F2NO3S — CID 103710489

IUPAC1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
SMILESCCS(=O)(=O)CCNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO3S/c1-2-19(17,18)6-5-15-8-12(16)10-4-3-9(13)7-11(10)14/h3-4,7,12,15-16H,2,5-6,8H2,1H3
InChIKeyGVQAVUBCQBXOID-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.02
Rot. Bonds7

About 1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol

1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol (PubChem CID 103710489) has the molecular formula C12H17F2NO3S and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
PubChem CID103710489
Molecular FormulaC12H17F2NO3S
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC Name1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
SMILESCCS(=O)(=O)CCNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO3S/c1-2-19(17,18)6-5-15-8-12(16)10-4-3-9(13)7-11(10)14/h3-4,7,12,15-16H,2,5-6,8H2,1H3
InChIKeyGVQAVUBCQBXOID-UHFFFAOYSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095993
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
CID 65111103
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937600
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide
CID 54938970
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901420
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-1-methoxybutan-2-ol
CID 106246645
1-(2,5-difluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
CID 54905559
1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315194

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol (CID 103710489) is 1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol is CCS(=O)(=O)CCNCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol?
The InChIKey is GVQAVUBCQBXOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3S/c1-2-19(17,18)6-5-15-8-12(16)10-4-3-9(13)7-11(10)14/h3-4,7,12,15-16H,2,5-6,8H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol?
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol has a molecular weight of 293.33 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol is sourced from PubChem (CID 103710489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).