[4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate

C11H12FNO6S2 — CID 118011510

IUPAC[4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(S(=O)(=O)NS(=O)(=O)CF)cc1
InChIInChI=1S/C11H12FNO6S2/c1-8(2)11(14)19-9-3-5-10(6-4-9)21(17,18)13-20(15,16)7-12/h3-6,13H,1,7H2,2H3
InChIKeyQLQZJJPCKFKZDL-UHFFFAOYSA-N
MW337.35 g/mol
LogP0.70
Rot. Bonds6

About [4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate

[4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate (PubChem CID 118011510) has the molecular formula C11H12FNO6S2 and a molecular weight of 337.35 g/mol. Its IUPAC name is [4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate
PubChem CID118011510
Molecular FormulaC11H12FNO6S2
Molecular Weight337.35 g/mol
Exact Mass337.01
IUPAC Name[4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(S(=O)(=O)NS(=O)(=O)CF)cc1
InChIInChI=1S/C11H12FNO6S2/c1-8(2)11(14)19-9-3-5-10(6-4-9)21(17,18)13-20(15,16)7-12/h3-6,13H,1,7H2,2H3
InChIKeyQLQZJJPCKFKZDL-UHFFFAOYSA-N
XLogP0.70
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(4-methylphenyl)sulfonylprop-2-enamide;[4-[(4-methylphenyl)sulfonylsulfamoyl]phenyl] 2-methylprop-2-enoate;[4-(methylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate
CID 161364491
[4-(dimethylsulfamoyl)phenyl] 2-methylprop-2-enoate
CID 68577631
fluoromethylsulfonylsulfamoylmethyl 2-methylprop-2-enoate
CID 126575329
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
2-[[4-(methylsulfamoyl)phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 59974715
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
CID 172846034
[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
CID 169009058
2-methyl-N'-[4-[4-[(2-methylprop-2-enoylamino)sulfamoyl]phenoxy]phenyl]sulfonylprop-2-enehydrazide
CID 102109710
[4-(2-methylprop-2-enoyloxy)phenyl]-diphenylsulfanium;methyl sulfate
CID 175695890
[4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate
CID 18668246

Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate (CID 118011510) is [4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(S(=O)(=O)NS(=O)(=O)CF)cc1.
What is the InChIKey of [4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is QLQZJJPCKFKZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO6S2/c1-8(2)11(14)19-9-3-5-10(6-4-9)21(17,18)13-20(15,16)7-12/h3-6,13H,1,7H2,2H3.
What are the key properties of [4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate?
[4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 337.35 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 [4-(fluoromethylsulfonylsulfamoyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 118011510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).