ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride

C11H17ClN2O4S — CID 69351950

IUPACethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride
SMILESCl.[H]/N=C(/COc1cccc(NS(C)(=O)=O)c1)OCC
InChIInChI=1S/C11H16N2O4S.ClH/c1-3-16-11(12)8-17-10-6-4-5-9(7-10)13-18(2,14)15;/h4-7,12-13H,3,8H2,1-2H3;1H/b12-11-;
InChIKeyUFPVSNKKGBSMIU-AFEZEDKISA-N
MW308.79 g/mol
LogP1.87
Rot. Bonds6

About ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride

ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride (PubChem CID 69351950) has the molecular formula C11H17ClN2O4S and a molecular weight of 308.79 g/mol. Its IUPAC name is ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride
PubChem CID69351950
Molecular FormulaC11H17ClN2O4S
Molecular Weight308.79 g/mol
Exact Mass308.06
IUPAC Nameethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride
SMILESCl.[H]/N=C(/COc1cccc(NS(C)(=O)=O)c1)OCC
InChIInChI=1S/C11H16N2O4S.ClH/c1-3-16-11(12)8-17-10-6-4-5-9(7-10)13-18(2,14)15;/h4-7,12-13H,3,8H2,1-2H3;1H/b12-11-;
InChIKeyUFPVSNKKGBSMIU-AFEZEDKISA-N
XLogP1.87
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
[3-(methanesulfonamido)phenyl] propanoate
CID 154228160
2-[3-(sulfamoylamino)phenoxy]acetamide
CID 112573308
ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate
CID 39340829
2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride
CID 21128674
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740
N-[4-[1-(3-ethoxyanilino)ethyl]phenyl]methanesulfonamide
CID 84596891
2-[3-(diethylsulfamoylamino)phenoxy]ethanethioamide
CID 43369739
ethyl 4-[3-(methylaminomethyl)phenoxy]butanimidate
CID 21294580
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid
CID 63245735
methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate
CID 82833635
ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate
CID 46547637

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride?
The IUPAC name of ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride (CID 69351950) is ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride.
What is the SMILES notation for ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride?
The canonical SMILES for ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride is Cl.[H]/N=C(/COc1cccc(NS(C)(=O)=O)c1)OCC.
What is the InChIKey of ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride?
The InChIKey is UFPVSNKKGBSMIU-AFEZEDKISA-N. The full InChI is InChI=1S/C11H16N2O4S.ClH/c1-3-16-11(12)8-17-10-6-4-5-9(7-10)13-18(2,14)15;/h4-7,12-13H,3,8H2,1-2H3;1H/b12-11-;.
What are the key properties of ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride?
ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride has a molecular weight of 308.79 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(methanesulfonamido)phenoxy]ethanimidate;hydrochloride is sourced from PubChem (CID 69351950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).