N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide

C15H17FN2O2S — CID 60923004

IUPACN-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(CN)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S/c1-18(11-13-4-2-12(10-17)3-5-13)21(19,20)15-8-6-14(16)7-9-15/h2-9H,10-11,17H2,1H3
InChIKeyQLEQCLZLGRGVLT-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.11
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide

N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 60923004) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID60923004
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(CN)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S/c1-18(11-13-4-2-12(10-17)3-5-13)21(19,20)15-8-6-14(16)7-9-15/h2-9H,10-11,17H2,1H3
InChIKeyQLEQCLZLGRGVLT-UHFFFAOYSA-N
XLogP2.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237408
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770
N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
CID 61413510
4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 43578997
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4794072
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 47103945
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
4-fluoro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787889
1-(aminomethyl)-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 114958571
4-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-methylbenzenesulfonamide
CID 55225592
4-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 55012270

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide (CID 60923004) is N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide is CN(Cc1ccc(CN)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is QLEQCLZLGRGVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-18(11-13-4-2-12(10-17)3-5-13)21(19,20)15-8-6-14(16)7-9-15/h2-9H,10-11,17H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide?
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 60923004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).