methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate

C11H11F2NO6S2 — CID 118906553

IUPACmethyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate
SMILESC=Cc1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)C(=O)OC)cc1
InChIInChI=1S/C11H11F2NO6S2/c1-3-8-4-6-9(7-5-8)21(16,17)14-22(18,19)11(12,13)10(15)20-2/h3-7,14H,1H2,2H3
InChIKeyGSMYECXYYOWLFP-UHFFFAOYSA-N
MW355.34 g/mol
LogP0.70
Rot. Bonds6

About methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate

methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate (PubChem CID 118906553) has the molecular formula C11H11F2NO6S2 and a molecular weight of 355.34 g/mol. Its IUPAC name is methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate.

Molecular Properties

Compound Namemethyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate
PubChem CID118906553
Molecular FormulaC11H11F2NO6S2
Molecular Weight355.34 g/mol
Exact Mass355.00
IUPAC Namemethyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate
SMILESC=Cc1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)C(=O)OC)cc1
InChIInChI=1S/C11H11F2NO6S2/c1-3-8-4-6-9(7-5-8)21(16,17)14-22(18,19)11(12,13)10(15)20-2/h3-7,14H,1H2,2H3
InChIKeyGSMYECXYYOWLFP-UHFFFAOYSA-N
XLogP0.70
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol
CID 170699603
4-ethenyl-N-sulfamoylbenzenesulfonamide
CID 169281535
4-ethenyl-N-hydroxybenzenesulfonamide
CID 139935859
ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 144895796
azane;1-ethenyl-4-methoxybenzene;osmium(2+);bis(trifluoromethanesulfonate)
CID 15328821
(2S)-2-[(4-ethenylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 15548255
methyl 2,2-dimethylpropanoate;styrene
CID 144999518
4-ethenylbenzenesulfonic acid;methanol
CID 172742090
ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide
CID 144815079
2-[(4-ethenylphenyl)methylamino]-1,1-difluoro-2-oxoethanesulfonate
CID 154615113
4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 162571871
2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide
CID 166235716

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate?
The IUPAC name of methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate (CID 118906553) is methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate.
What is the SMILES notation for methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate?
The canonical SMILES for methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate is C=Cc1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate?
The InChIKey is GSMYECXYYOWLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO6S2/c1-3-8-4-6-9(7-5-8)21(16,17)14-22(18,19)11(12,13)10(15)20-2/h3-7,14H,1H2,2H3.
What are the key properties of methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate?
methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate has a molecular weight of 355.34 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate is sourced from PubChem (CID 118906553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).