(4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate

C15H14FNO4S — CID 134815527

IUPAC(4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate
SMILES[H]/N=C(\Cc1ccc(F)cc1)OS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H14FNO4S/c1-20-13-6-8-14(9-7-13)22(18,19)21-15(17)10-11-2-4-12(16)5-3-11/h2-9,17H,10H2,1H3/b17-15+
InChIKeyGXNMBBKIMYOOOY-BMRADRMJSA-N
MW323.35 g/mol
LogP2.76
Rot. Bonds5

About (4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate

(4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate (PubChem CID 134815527) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is (4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate.

Molecular Properties

Compound Name(4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate
PubChem CID134815527
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name(4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate
SMILES[H]/N=C(\Cc1ccc(F)cc1)OS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H14FNO4S/c1-20-13-6-8-14(9-7-13)22(18,19)21-15(17)10-11-2-4-12(16)5-3-11/h2-9,17H,10H2,1H3/b17-15+
InChIKeyGXNMBBKIMYOOOY-BMRADRMJSA-N
XLogP2.76
TPSA76.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

4-[(4-Fluorophenyl)methoxy]benzenesulfonamide
CID 43342474
N-[(Z)-(2-fluorophenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 5407706
N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 841713
4-(Benzyloxy)-3-fluorobenzene-1-sulfonyl chloride
CID 20114091
[(Z)-1-(3,4-difluorophenyl)ethylideneamino] 3,4-dimethoxybenzenesulfonate
CID 5712857
(3-Fluoro-4-methoxyphenyl) 4-methylbenzenesulfonate
CID 138977108
(4-Methoxyphenyl)sulfonyl 2-(4-methoxyphenyl)ethanimidate
CID 134815265
p-Tolylsulfonyl 2-(4-methoxyphenyl)ethanimidate
CID 134815266
(4-Methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate
CID 134815303
(4-Methoxyphenyl)sulfonyl 2-(4-hydroxyphenyl)ethanimidate
CID 134815313
(4-Methoxyphenyl)sulfonyl 2-(4-chlorophenyl)ethanimidate
CID 134815365
(NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide
CID 11543970

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate?
The IUPAC name of (4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate (CID 134815527) is (4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate.
What is the SMILES notation for (4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate?
The canonical SMILES for (4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate is [H]/N=C(\Cc1ccc(F)cc1)OS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate?
The InChIKey is GXNMBBKIMYOOOY-BMRADRMJSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-20-13-6-8-14(9-7-13)22(18,19)21-15(17)10-11-2-4-12(16)5-3-11/h2-9,17H,10H2,1H3/b17-15+.
What are the key properties of (4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate?
(4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate has a molecular weight of 323.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate is sourced from PubChem (CID 134815527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).