N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide

C11H14FN3O3S — CID 57299718

IUPACN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(OCC2=NCCN2)c1F
InChIInChI=1S/C11H14FN3O3S/c1-19(16,17)15-8-3-2-4-9(11(8)12)18-7-10-13-5-6-14-10/h2-4,15H,5-7H2,1H3,(H,13,14)
InChIKeyDEHJAKQRHDCHQO-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.58
Rot. Bonds5

About N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide

N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide (PubChem CID 57299718) has the molecular formula C11H14FN3O3S and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide
PubChem CID57299718
Molecular FormulaC11H14FN3O3S
Molecular Weight287.32 g/mol
Exact Mass287.07
IUPAC NameN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(OCC2=NCCN2)c1F
InChIInChI=1S/C11H14FN3O3S/c1-19(16,17)15-8-3-2-4-9(11(8)12)18-7-10-13-5-6-14-10/h2-4,15H,5-7H2,1H3,(H,13,14)
InChIKeyDEHJAKQRHDCHQO-UHFFFAOYSA-N
XLogP0.58
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]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-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide (CID 57299718) is N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(OCC2=NCCN2)c1F.
What is the InChIKey of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide?
The InChIKey is DEHJAKQRHDCHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3S/c1-19(16,17)15-8-3-2-4-9(11(8)12)18-7-10-13-5-6-14-10/h2-4,15H,5-7H2,1H3,(H,13,14).
What are the key properties of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide?
N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide has a molecular weight of 287.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 57299718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).