1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide

C11H17FN2O2S — CID 120824821

IUPAC1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
SMILESCNC(C)CNS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C11H17FN2O2S/c1-9(13-2)7-14-17(15,16)8-10-5-3-4-6-11(10)12/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyLKAXGHRCKNCPLP-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.85
Rot. Bonds6

About 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide

1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide (PubChem CID 120824821) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
PubChem CID120824821
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC Name1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
SMILESCNC(C)CNS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C11H17FN2O2S/c1-9(13-2)7-14-17(15,16)8-10-5-3-4-6-11(10)12/h3-6,9,13-14H,7-8H2,1-2H3
InChIKeyLKAXGHRCKNCPLP-UHFFFAOYSA-N
XLogP0.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824558
1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide
CID 97087544
1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 100567034
N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide
CID 71982150
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 95309064
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
CID 93424532
2-[(2-fluorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21148291
1-(2-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93487203
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 127508935

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide (CID 120824821) is 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide is CNC(C)CNS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide?
The InChIKey is LKAXGHRCKNCPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-9(13-2)7-14-17(15,16)8-10-5-3-4-6-11(10)12/h3-6,9,13-14H,7-8H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide?
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide is sourced from PubChem (CID 120824821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).