methyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate

C15H14FNO3S — CID 164687303

IUPACmethyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate
SMILESCO/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S/c1-11-3-9-14(10-4-11)21(18,19)17-15(20-2)12-5-7-13(16)8-6-12/h3-10H,1-2H3/b17-15-
InChIKeyQBMGYEYXNJKVJK-ICFOKQHNSA-N
MW307.35 g/mol
LogP2.92
Rot. Bonds3

About methyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate

methyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate (PubChem CID 164687303) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate.

Molecular Properties

Compound Namemethyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate
PubChem CID164687303
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Namemethyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate
SMILESCO/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO3S/c1-11-3-9-14(10-4-11)21(18,19)17-15(20-2)12-5-7-13(16)8-6-12/h3-10H,1-2H3/b17-15-
InChIKeyQBMGYEYXNJKVJK-ICFOKQHNSA-N
XLogP2.92
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate?
The IUPAC name of methyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate (CID 164687303) is methyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate.
What is the SMILES notation for methyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate?
The canonical SMILES for methyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate is CO/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1.
What is the InChIKey of methyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate?
The InChIKey is QBMGYEYXNJKVJK-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-11-3-9-14(10-4-11)21(18,19)17-15(20-2)12-5-7-13(16)8-6-12/h3-10H,1-2H3/b17-15-.
What are the key properties of methyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate?
methyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate has a molecular weight of 307.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1Z)-4-fluoro-N-(4-methylphenyl)sulfonylbenzenecarboximidate is sourced from PubChem (CID 164687303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).