N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide

C16H19FN2O2S — CID 26542292

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide
SMILESCN(C)Cc1ccccc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2S/c1-19(2)12-14-6-4-3-5-13(14)11-18-22(20,21)16-9-7-15(17)8-10-16/h3-10,18H,11-12H2,1-2H3
InChIKeyMFQVRBAVXIXJRM-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.37
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide (PubChem CID 26542292) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide
PubChem CID26542292
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide
SMILESCN(C)Cc1ccccc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2S/c1-19(2)12-14-6-4-3-5-13(14)11-18-22(20,21)16-9-7-15(17)8-10-16/h3-10,18H,11-12H2,1-2H3
InChIKeyMFQVRBAVXIXJRM-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide 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-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26542362
4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110446090
1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 1455204
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide
CID 83084853
4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 38013699
N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22203173
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 51249518
4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide
CID 60580487
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31544702
4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28715737
N-[[3-(bromomethyl)phenyl]methyl]-4-fluorobenzenesulfonamide
CID 114297971

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide (CID 26542292) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide is CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide?
The InChIKey is MFQVRBAVXIXJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-19(2)12-14-6-4-3-5-13(14)11-18-22(20,21)16-9-7-15(17)8-10-16/h3-10,18H,11-12H2,1-2H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide has a molecular weight of 322.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 26542292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).