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

C11H15ClFN3O3S — CID 18789692

IUPACN-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1cc(OCC2=NCCN2)ccc1F.Cl
InChIInChI=1S/C11H14FN3O3S.ClH/c1-19(16,17)15-10-6-8(2-3-9(10)12)18-7-11-13-4-5-14-11;/h2-3,6,15H,4-5,7H2,1H3,(H,13,14);1H
InChIKeyMXFTWTXIQXZPSH-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.00
Rot. Bonds5

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

N-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide;hydrochloride (PubChem CID 18789692) has the molecular formula C11H15ClFN3O3S and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide;hydrochloride
PubChem CID18789692
Molecular FormulaC11H15ClFN3O3S
Molecular Weight323.78 g/mol
Exact Mass323.05
IUPAC NameN-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1cc(OCC2=NCCN2)ccc1F.Cl
InChIInChI=1S/C11H14FN3O3S.ClH/c1-19(16,17)15-10-6-8(2-3-9(10)12)18-7-11-13-4-5-14-11;/h2-3,6,15H,4-5,7H2,1H3,(H,13,14);1H
InChIKeyMXFTWTXIQXZPSH-UHFFFAOYSA-N
XLogP1.00
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide;hydrochloride (CID 18789692) is N-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide;hydrochloride is CS(=O)(=O)Nc1cc(OCC2=NCCN2)ccc1F.Cl.
What is the InChIKey of N-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide;hydrochloride?
The InChIKey is MXFTWTXIQXZPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3S.ClH/c1-19(16,17)15-10-6-8(2-3-9(10)12)18-7-11-13-4-5-14-11;/h2-3,6,15H,4-5,7H2,1H3,(H,13,14);1H.
What are the key properties of N-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide;hydrochloride?
N-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide;hydrochloride has a molecular weight of 323.78 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-fluorophenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 18789692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).