4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide

C8H11FN2O2S — CID 125498168

IUPAC4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CN)c(F)c1
InChIInChI=1S/C8H11FN2O2S/c1-11-14(12,13)7-3-2-6(5-10)8(9)4-7/h2-4,11H,5,10H2,1H3
InChIKeyLOAIRGOFLBODNE-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.19
Rot. Bonds3

About 4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide

4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 125498168) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide
PubChem CID125498168
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CN)c(F)c1
InChIInChI=1S/C8H11FN2O2S/c1-11-14(12,13)7-3-2-6(5-10)8(9)4-7/h2-4,11H,5,10H2,1H3
InChIKeyLOAIRGOFLBODNE-UHFFFAOYSA-N
XLogP0.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-4-(iodomethylsulfonyl)phenyl]methanamine
CID 90837914
3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982
[[4-(aminomethyl)-3-fluorophenyl]-methyl-oxo-λ6-sulfanylidene]cyanamide
CID 129391350
4-cyano-3-fluoro-N-methylbenzenesulfonamide
CID 126776790
3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 28716951
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637
3-chloro-4-ethyl-N-methylbenzenesulfonamide
CID 149042706
3-(aminomethyl)-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 106029558
4-fluoro-N-methyl-3-nitrosobenzenesulfonamide
CID 88876048
4-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide
CID 130524122
3-(aminomethyl)-4-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 55172499
2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 66877918

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide (CID 125498168) is 4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is LOAIRGOFLBODNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c1-11-14(12,13)7-3-2-6(5-10)8(9)4-7/h2-4,11H,5,10H2,1H3.
What are the key properties of 4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide?
4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 218.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 125498168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).