N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide

C10H14F2N2O2S — CID 28731619

IUPACN-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1c(F)cccc1F
InChIInChI=1S/C10H14F2N2O2S/c1-17(15,16)14-6-5-13-7-8-9(11)3-2-4-10(8)12/h2-4,13-14H,5-7H2,1H3
InChIKeyWJNGOTGXPVJEPU-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.60
Rot. Bonds6

About N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide

N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide (PubChem CID 28731619) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide
PubChem CID28731619
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC NameN-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1c(F)cccc1F
InChIInChI=1S/C10H14F2N2O2S/c1-17(15,16)14-6-5-13-7-8-9(11)3-2-4-10(8)12/h2-4,13-14H,5-7H2,1H3
InChIKeyWJNGOTGXPVJEPU-UHFFFAOYSA-N
XLogP0.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 43658842
N-[3-[(2-chloro-6-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611732
N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731622
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]acetamide
CID 28684466
N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611752
N'-tert-butyl-N-[(2,6-difluorophenyl)methyl]ethane-1,2-diamine
CID 113405352
N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide
CID 112581880
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
CID 62392443
N-[2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]ethyl]methanesulfonamide
CID 79831323
N-[2-[(2-fluoro-3-nitrophenyl)methylamino]ethyl]methanesulfonamide
CID 107348955
N-[3-[(4-cyano-2,6-difluorophenyl)methylamino]propyl]methanesulfonamide
CID 107165844

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide (CID 28731619) is N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1c(F)cccc1F.
What is the InChIKey of N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide?
The InChIKey is WJNGOTGXPVJEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-17(15,16)14-6-5-13-7-8-9(11)3-2-4-10(8)12/h2-4,13-14H,5-7H2,1H3.
What are the key properties of N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide?
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide has a molecular weight of 264.30 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 28731619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).