N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide

C10H15FN2O2S — CID 58118618

IUPACN-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide
SMILESCc1cc([C@@H](C)N)c(F)cc1NS(C)(=O)=O
InChIInChI=1S/C10H15FN2O2S/c1-6-4-8(7(2)12)9(11)5-10(6)13-16(3,14)15/h4-5,7,13H,12H2,1-3H3/t7-/m1/s1
InChIKeyMEJLJAWAZIRELM-SSDOTTSWSA-N
MW246.31 g/mol
LogP1.53
Rot. Bonds3

About N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide

N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide (PubChem CID 58118618) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide
PubChem CID58118618
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC NameN-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide
SMILESCc1cc([C@@H](C)N)c(F)cc1NS(C)(=O)=O
InChIInChI=1S/C10H15FN2O2S/c1-6-4-8(7(2)12)9(11)5-10(6)13-16(3,14)15/h4-5,7,13H,12H2,1-3H3/t7-/m1/s1
InChIKeyMEJLJAWAZIRELM-SSDOTTSWSA-N
XLogP1.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]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-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide (CID 58118618) is N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide is Cc1cc([C@@H](C)N)c(F)cc1NS(C)(=O)=O.
What is the InChIKey of N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide?
The InChIKey is MEJLJAWAZIRELM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-6-4-8(7(2)12)9(11)5-10(6)13-16(3,14)15/h4-5,7,13H,12H2,1-3H3/t7-/m1/s1.
What are the key properties of N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide?
N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide has a molecular weight of 246.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 58118618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).