N-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide

C8H11FN2O2S — CID 59460755

IUPACN-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(CN)ccc1F
InChIInChI=1S/C8H11FN2O2S/c1-14(12,13)11-8-4-6(5-10)2-3-7(8)9/h2-4,11H,5,10H2,1H3
InChIKeyCDYLAZDTSVZQHT-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.66
Rot. Bonds3

About N-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide

N-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide (PubChem CID 59460755) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide
PubChem CID59460755
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC NameN-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(CN)ccc1F
InChIInChI=1S/C8H11FN2O2S/c1-14(12,13)11-8-4-6(5-10)2-3-7(8)9/h2-4,11H,5,10H2,1H3
InChIKeyCDYLAZDTSVZQHT-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide (CID 59460755) is N-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(CN)ccc1F.
What is the InChIKey of N-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide?
The InChIKey is CDYLAZDTSVZQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c1-14(12,13)11-8-4-6(5-10)2-3-7(8)9/h2-4,11H,5,10H2,1H3.
What are the key properties of N-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide?
N-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide has a molecular weight of 218.25 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 59460755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).