N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide

C10H14F2N2O2S — CID 43658842

IUPACN-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1cccc(F)c1F
InChIInChI=1S/C10H14F2N2O2S/c1-17(15,16)14-6-5-13-7-8-3-2-4-9(11)10(8)12/h2-4,13-14H,5-7H2,1H3
InChIKeyAYIMZYHIQKQWCB-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.60
Rot. Bonds6

About N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide

N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide (PubChem CID 43658842) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide
PubChem CID43658842
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC NameN-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1cccc(F)c1F
InChIInChI=1S/C10H14F2N2O2S/c1-17(15,16)14-6-5-13-7-8-3-2-4-9(11)10(8)12/h2-4,13-14H,5-7H2,1H3
InChIKeyAYIMZYHIQKQWCB-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'}

Analyze N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731619
N-[2-[(2-fluoro-3-nitrophenyl)methylamino]ethyl]methanesulfonamide
CID 107348955
N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611752
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
CID 62392443
N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine
CID 115632625
N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 28732222
N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine
CID 113410212
(E)-N-[(2,3-difluorophenyl)methyl]pent-3-en-1-amine
CID 115629131
N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731622
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
N-[2-[(5-cyano-2-fluorophenyl)methylamino]ethyl]methanesulfonamide
CID 43546043
1,2-difluoro-3-(methylsulfonylmethyl)benzene
CID 2761430

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide (CID 43658842) is N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1cccc(F)c1F.
What is the InChIKey of N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide?
The InChIKey is AYIMZYHIQKQWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-17(15,16)14-6-5-13-7-8-3-2-4-9(11)10(8)12/h2-4,13-14H,5-7H2,1H3.
What are the key properties of N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide?
N-[2-[(2,3-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-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 43658842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).