3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide

C17H20FNO4S — CID 75431313

IUPAC3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(CO)N(C)S(=O)(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H20FNO4S/c1-12-4-9-15(10-16(12)18)24(21,22)19(2)17(11-20)13-5-7-14(23-3)8-6-13/h4-10,17,20H,11H2,1-3H3
InChIKeyXUCGAXKZIYLAGA-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.50
Rot. Bonds6

About 3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide

3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 75431313) has the molecular formula C17H20FNO4S and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
PubChem CID75431313
Molecular FormulaC17H20FNO4S
Molecular Weight353.42 g/mol
Exact Mass353.11
IUPAC Name3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(CO)N(C)S(=O)(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H20FNO4S/c1-12-4-9-15(10-16(12)18)24(21,22)19(2)17(11-20)13-5-7-14(23-3)8-6-13/h4-10,17,20H,11H2,1-3H3
InChIKeyXUCGAXKZIYLAGA-UHFFFAOYSA-N
XLogP2.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide 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

3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93207564
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 25335599
N-(3,4-dimethoxyphenyl)-3-fluoro-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 42841941
(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 92647918
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid
CID 83950889
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(3-hydroxypropyl)-3-(4-methoxyphenyl)propanamide
CID 92647875
(3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 92647846
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 78768992
3-(3,5-difluorophenyl)-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 96542792
3-(3-chloro-4-methylphenyl)-1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 111122927
(3R)-3-[benzenesulfonyl(methyl)amino]-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 92647848

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide (CID 75431313) is 3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide is COc1ccc(C(CO)N(C)S(=O)(=O)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is XUCGAXKZIYLAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4S/c1-12-4-9-15(10-16(12)18)24(21,22)19(2)17(11-20)13-5-7-14(23-3)8-6-13/h4-10,17,20H,11H2,1-3H3.
What are the key properties of 3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide?
3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 75431313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).