4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide

C22H23FN2O2S — CID 175591490

IUPAC4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(N)(=O)=O)c(-c2cc(CNC)ccc2-c2ccccc2F)c1
InChIInChI=1S/C22H23FN2O2S/c1-3-15-9-11-22(28(24,26)27)20(12-15)19-13-16(14-25-2)8-10-17(19)18-6-4-5-7-21(18)23/h4-13,25H,3,14H2,1-2H3,(H2,24,26,27)
InChIKeyUHVSJQAWSPAGNG-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.09
Rot. Bonds6

About 4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide

4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide (PubChem CID 175591490) has the molecular formula C22H23FN2O2S and a molecular weight of 398.50 g/mol. Its IUPAC name is 4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
PubChem CID175591490
Molecular FormulaC22H23FN2O2S
Molecular Weight398.50 g/mol
Exact Mass398.15
IUPAC Name4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(N)(=O)=O)c(-c2cc(CNC)ccc2-c2ccccc2F)c1
InChIInChI=1S/C22H23FN2O2S/c1-3-15-9-11-22(28(24,26)27)20(12-15)19-13-16(14-25-2)8-10-17(19)18-6-4-5-7-21(18)23/h4-13,25H,3,14H2,1-2H3,(H2,24,26,27)
InChIKeyUHVSJQAWSPAGNG-UHFFFAOYSA-N
XLogP4.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide 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-[3-(2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 105408607
4-ethyl-2-fluorobenzenesulfonamide
CID 134317094
3-ethylfluoren-9-one
CID 11344805
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide
CID 175591554
2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 79187326
1-[5-(2-fluorophenyl)thiophen-3-yl]-N-methylmethanamine
CID 62491192
N-butyl-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79189657
1-(4-fluoro-3-naphthalen-2-ylphenyl)-N-methylmethanamine
CID 61032587
2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106911076
1-[4-fluoro-3-(4-methylphenyl)phenyl]-N-methylmethanamine
CID 54911637

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide (CID 175591490) is 4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide is CCc1ccc(S(N)(=O)=O)c(-c2cc(CNC)ccc2-c2ccccc2F)c1.
What is the InChIKey of 4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide?
The InChIKey is UHVSJQAWSPAGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2S/c1-3-15-9-11-22(28(24,26)27)20(12-15)19-13-16(14-25-2)8-10-17(19)18-6-4-5-7-21(18)23/h4-13,25H,3,14H2,1-2H3,(H2,24,26,27).
What are the key properties of 4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide?
4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide has a molecular weight of 398.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(2-fluorophenyl)-5-(methylaminomethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 175591490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).