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

C10H16ClFN2O2S — CID 66718598

IUPACN-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride
SMILESCc1cc([C@@H](C)N)c(F)cc1NS(C)(=O)=O.Cl
InChIInChI=1S/C10H15FN2O2S.ClH/c1-6-4-8(7(2)12)9(11)5-10(6)13-16(3,14)15;/h4-5,7,13H,12H2,1-3H3;1H/t7-;/m1./s1
InChIKeyKZRMAPUDQVSRLD-OGFXRTJISA-N
MW282.77 g/mol
LogP1.95
Rot. Bonds3

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

N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride (PubChem CID 66718598) has the molecular formula C10H16ClFN2O2S and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride
PubChem CID66718598
Molecular FormulaC10H16ClFN2O2S
Molecular Weight282.77 g/mol
Exact Mass282.06
IUPAC NameN-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride
SMILESCc1cc([C@@H](C)N)c(F)cc1NS(C)(=O)=O.Cl
InChIInChI=1S/C10H15FN2O2S.ClH/c1-6-4-8(7(2)12)9(11)5-10(6)13-16(3,14)15;/h4-5,7,13H,12H2,1-3H3;1H/t7-;/m1./s1
InChIKeyKZRMAPUDQVSRLD-OGFXRTJISA-N
XLogP1.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride (CID 66718598) is N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride is Cc1cc([C@@H](C)N)c(F)cc1NS(C)(=O)=O.Cl.
What is the InChIKey of N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride?
The InChIKey is KZRMAPUDQVSRLD-OGFXRTJISA-N. The full InChI is InChI=1S/C10H15FN2O2S.ClH/c1-6-4-8(7(2)12)9(11)5-10(6)13-16(3,14)15;/h4-5,7,13H,12H2,1-3H3;1H/t7-;/m1./s1.
What are the key properties of N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride?
N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.95, 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;hydrochloride is sourced from PubChem (CID 66718598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).