3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride

C15H16ClFN2O3S — CID 82253926

IUPAC3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCc2ccc(S(C)(=O)=O)cc2)c(F)c1
InChIInChI=1S/C15H15FN2O3S.ClH/c1-22(19,20)12-5-2-10(3-6-12)9-21-14-7-4-11(15(17)18)8-13(14)16;/h2-8H,9H2,1H3,(H3,17,18);1H
InChIKeyUHUAACKCKWOMER-UHFFFAOYSA-N
MW358.82 g/mol
LogP2.51
Rot. Bonds5

About 3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride

3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride (PubChem CID 82253926) has the molecular formula C15H16ClFN2O3S and a molecular weight of 358.82 g/mol. Its IUPAC name is 3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride
PubChem CID82253926
Molecular FormulaC15H16ClFN2O3S
Molecular Weight358.82 g/mol
Exact Mass358.06
IUPAC Name3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(OCc2ccc(S(C)(=O)=O)cc2)c(F)c1
InChIInChI=1S/C15H15FN2O3S.ClH/c1-22(19,20)12-5-2-10(3-6-12)9-21-14-7-4-11(15(17)18)8-13(14)16;/h2-8H,9H2,1H3,(H3,17,18);1H
InChIKeyUHUAACKCKWOMER-UHFFFAOYSA-N
XLogP2.51
TPSA93.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 107666580
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 82253424
4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 82253825
3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765
3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide
CID 107666516
3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107666555
3-bromo-4-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 82787062
3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82253528

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride?
The IUPAC name of 3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride (CID 82253926) is 3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(OCc2ccc(S(C)(=O)=O)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride?
The InChIKey is UHUAACKCKWOMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S.ClH/c1-22(19,20)12-5-2-10(3-6-12)9-21-14-7-4-11(15(17)18)8-13(14)16;/h2-8H,9H2,1H3,(H3,17,18);1H.
What are the key properties of 3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride?
3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride has a molecular weight of 358.82 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).