(1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate

C10H9FNO5S- — CID 172539620

IUPAC(1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate
SMILESCOC(=O)c1ccc(S(=O)(=O)/N=C(\[O-])CF)cc1
InChIInChI=1S/C10H10FNO5S/c1-17-10(14)7-2-4-8(5-3-7)18(15,16)12-9(13)6-11/h2-5H,6H2,1H3,(H,12,13)/p-1
InChIKeyJEODJYJGJWONRS-UHFFFAOYSA-M
MW274.25 g/mol
LogP-0.11
Rot. Bonds4

About (1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate

(1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate (PubChem CID 172539620) has the molecular formula C10H9FNO5S- and a molecular weight of 274.25 g/mol. Its IUPAC name is (1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate.

Molecular Properties

Compound Name(1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate
PubChem CID172539620
Molecular FormulaC10H9FNO5S-
Molecular Weight274.25 g/mol
Exact Mass274.02
IUPAC Name(1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate
SMILESCOC(=O)c1ccc(S(=O)(=O)/N=C(\[O-])CF)cc1
InChIInChI=1S/C10H10FNO5S/c1-17-10(14)7-2-4-8(5-3-7)18(15,16)12-9(13)6-11/h2-5H,6H2,1H3,(H,12,13)/p-1
InChIKeyJEODJYJGJWONRS-UHFFFAOYSA-M
XLogP-0.11
TPSA95.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
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

methyl 4-[(E)-1-piperidin-1-ylethylideneamino]sulfonylbenzoate
CID 6449665
sodium 2-(4-methoxycarbonylphenyl)sulfonylethanesulfonate
CID 139892694
CID 170307924
CID 170307924
methyl 4-(2-aminoethylsulfonyl)benzoate
CID 66688215
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
methyl 4-(4-sulfamoylphenyl)benzoate
CID 122194771
methyl 4-(dichloromethylideneamino)benzoate
CID 86178870
methyl 4-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]benzoate
CID 139507009
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
methyl 4-[[(2S)-3-fluorobutan-2-yl]sulfonimidoyl]benzoate
CID 174109300
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate?
The IUPAC name of (1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate (CID 172539620) is (1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate.
What is the SMILES notation for (1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate?
The canonical SMILES for (1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate is COC(=O)c1ccc(S(=O)(=O)/N=C(\[O-])CF)cc1.
What is the InChIKey of (1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate?
The InChIKey is JEODJYJGJWONRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10FNO5S/c1-17-10(14)7-2-4-8(5-3-7)18(15,16)12-9(13)6-11/h2-5H,6H2,1H3,(H,12,13)/p-1.
What are the key properties of (1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate?
(1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate has a molecular weight of 274.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-fluoro-N-(4-methoxycarbonylphenyl)sulfonylethanimidate is sourced from PubChem (CID 172539620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).