2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol

C16H18FNO3S — CID 110924112

IUPAC2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol
SMILESCN(CC(O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1F
InChIInChI=1S/C16H18FNO3S/c1-18(15-6-4-3-5-14(15)17)11-16(19)12-7-9-13(10-8-12)22(2,20)21/h3-10,16,19H,11H2,1-2H3
InChIKeyDZYXEPSFPXEFBQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.40
Rot. Bonds5

About 2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol

2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 110924112) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol
PubChem CID110924112
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol
SMILESCN(CC(O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1F
InChIInChI=1S/C16H18FNO3S/c1-18(15-6-4-3-5-14(15)17)11-16(19)12-7-9-13(10-8-12)22(2,20)21/h3-10,16,19H,11H2,1-2H3
InChIKeyDZYXEPSFPXEFBQ-UHFFFAOYSA-N
XLogP2.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)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

2-[ethyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 110899571
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
2-(2-chloro-6-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanol
CID 114982296
2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
CID 109416073
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
1-(4-methylsulfonylphenyl)-2-(pyrrol-1-ylamino)ethanol
CID 79100079
1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
CID 114979015
2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 111382017
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 125083737
1-(N-methyl-2-methylsulfonylanilino)propan-2-ol
CID 62335208
N-(2,2-dimethylpropyl)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methylsulfonylbenzenesulfonamide
CID 97258097
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30215942

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol (CID 110924112) is 2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol is CN(CC(O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1F.
What is the InChIKey of 2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is DZYXEPSFPXEFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-18(15-6-4-3-5-14(15)17)11-16(19)12-7-9-13(10-8-12)22(2,20)21/h3-10,16,19H,11H2,1-2H3.
What are the key properties of 2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol?
2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 323.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 110924112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).