N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide

C19H25FN2O2S — CID 119121752

IUPACN,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(F)c(C)c2)cc1
InChIInChI=1S/C19H25FN2O2S/c1-4-22(5-2)25(23,24)18-9-6-16(7-10-18)13-21-14-17-8-11-19(20)15(3)12-17/h6-12,21H,4-5,13-14H2,1-3H3
InChIKeyATNMWMZHVSNEPR-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.45
Rot. Bonds8

About N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide

N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide (PubChem CID 119121752) has the molecular formula C19H25FN2O2S and a molecular weight of 364.49 g/mol. Its IUPAC name is N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide
PubChem CID119121752
Molecular FormulaC19H25FN2O2S
Molecular Weight364.49 g/mol
Exact Mass364.16
IUPAC NameN,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(F)c(C)c2)cc1
InChIInChI=1S/C19H25FN2O2S/c1-4-22(5-2)25(23,24)18-9-6-16(7-10-18)13-21-14-17-8-11-19(20)15(3)12-17/h6-12,21H,4-5,13-14H2,1-3H3
InChIKeyATNMWMZHVSNEPR-UHFFFAOYSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]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

N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 167918686
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea;hydrochloride
CID 167918685
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694437
4-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide
CID 119126948
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60704987
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 8815309
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111852955
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide (CID 119121752) is N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(CNCc2ccc(F)c(C)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide?
The InChIKey is ATNMWMZHVSNEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2S/c1-4-22(5-2)25(23,24)18-9-6-16(7-10-18)13-21-14-17-8-11-19(20)15(3)12-17/h6-12,21H,4-5,13-14H2,1-3H3.
What are the key properties of N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide?
N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide has a molecular weight of 364.49 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 119121752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).