4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide

C18H23FN2O3S — CID 124515073

IUPAC4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESC[C@@H](NCc1ccc(F)c(CO)c1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H23FN2O3S/c1-13(20-11-14-4-9-18(19)16(10-14)12-22)15-5-7-17(8-6-15)25(23,24)21(2)3/h4-10,13,20,22H,11-12H2,1-3H3/t13-/m1/s1
InChIKeyUOLLHBWFOLBXOA-CYBMUJFWSA-N
MW366.46 g/mol
LogP2.42
Rot. Bonds7

About 4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide

4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 124515073) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID124515073
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC Name4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESC[C@@H](NCc1ccc(F)c(CO)c1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H23FN2O3S/c1-13(20-11-14-4-9-18(19)16(10-14)12-22)15-5-7-17(8-6-15)25(23,24)21(2)3/h4-10,13,20,22H,11-12H2,1-3H3/t13-/m1/s1
InChIKeyUOLLHBWFOLBXOA-CYBMUJFWSA-N
XLogP2.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-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

N,N-dimethyl-4-[1-[(3,4,5-trifluorophenyl)methylamino]ethyl]benzenesulfonamide
CID 119113191
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074
4-[1-(2-hydroxybutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115900312
3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 111521852
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311
N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 71892205
3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide
CID 106170973
4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115729207
4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 110907925
4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 107270144
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55893493

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide (CID 124515073) is 4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide is C[C@@H](NCc1ccc(F)c(CO)c1)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is UOLLHBWFOLBXOA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23FN2O3S/c1-13(20-11-14-4-9-18(19)16(10-14)12-22)15-5-7-17(8-6-15)25(23,24)21(2)3/h4-10,13,20,22H,11-12H2,1-3H3/t13-/m1/s1.
What are the key properties of 4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[[4-fluoro-3-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 124515073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).