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

C11H14FN3O3S — CID 18789584

IUPACN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(F)cc(OCC2=NCCN2)c1
InChIInChI=1S/C11H14FN3O3S/c1-19(16,17)15-9-4-8(12)5-10(6-9)18-7-11-13-2-3-14-11/h4-6,15H,2-3,7H2,1H3,(H,13,14)
InChIKeyQUJJWDBDLUCGEU-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.58
Rot. Bonds5

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

N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluorophenyl]methanesulfonamide (PubChem CID 18789584) 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)-5-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluorophenyl]methanesulfonamide
PubChem CID18789584
Molecular FormulaC11H14FN3O3S
Molecular Weight287.32 g/mol
Exact Mass287.07
IUPAC NameN-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(F)cc(OCC2=NCCN2)c1
InChIInChI=1S/C11H14FN3O3S/c1-19(16,17)15-9-4-8(12)5-10(6-9)18-7-11-13-2-3-14-11/h4-6,15H,2-3,7H2,1H3,(H,13,14)
InChIKeyQUJJWDBDLUCGEU-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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluorophenyl]methanesulfonamide (CID 18789584) is N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(F)cc(OCC2=NCCN2)c1.
What is the InChIKey of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluorophenyl]methanesulfonamide?
The InChIKey is QUJJWDBDLUCGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3S/c1-19(16,17)15-9-4-8(12)5-10(6-9)18-7-11-13-2-3-14-11/h4-6,15H,2-3,7H2,1H3,(H,13,14).
What are the key properties of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-fluorophenyl]methanesulfonamide?
N-[3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-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)-5-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 18789584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).