2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide

C17H15F4NO5S2 — CID 59635821

IUPAC2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CS(=O)(=O)/C=C/c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C17H15F4NO5S2/c18-16(19)17(20,21)27-14-7-5-12(6-8-14)9-10-28(23,24)11-13-3-1-2-4-15(13)29(22,25)26/h1-10,16H,11H2,(H2,22,25,26)/b10-9+
InChIKeyVOQZEUIUQCGGEF-MDZDMXLPSA-N
MW453.44 g/mol
LogP3.16
Rot. Bonds8

About 2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide

2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide (PubChem CID 59635821) has the molecular formula C17H15F4NO5S2 and a molecular weight of 453.44 g/mol. Its IUPAC name is 2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide
PubChem CID59635821
Molecular FormulaC17H15F4NO5S2
Molecular Weight453.44 g/mol
Exact Mass453.03
IUPAC Name2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CS(=O)(=O)/C=C/c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C17H15F4NO5S2/c18-16(19)17(20,21)27-14-7-5-12(6-8-14)9-10-28(23,24)11-13-3-1-2-4-15(13)29(22,25)26/h1-10,16H,11H2,(H2,22,25,26)/b10-9+
InChIKeyVOQZEUIUQCGGEF-MDZDMXLPSA-N
XLogP3.16
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride
CID 91170423
2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide
CID 106293975
ethyl 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 88799052
(E)-1-(4-chlorophenyl)-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-en-1-one
CID 88645389
2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide
CID 42646759
1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene
CID 54452495
(4-methylphenyl) 2-(2-sulfamoylphenyl)acetate
CID 118318708
2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one
CID 146008854
1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 15514819
2-(2-amino-3-methoxypropyl)benzenesulfonamide
CID 63197223
4-chloro-2-[2-[4-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide
CID 68782626
3-[4-[4-(1,1,2,2-tetrafluoroethoxy)benzoyl]oxyphenyl]prop-2-enoic acid
CID 91006163

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide?
The IUPAC name of 2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide (CID 59635821) is 2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide.
What is the SMILES notation for 2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide?
The canonical SMILES for 2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1CS(=O)(=O)/C=C/c1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of 2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide?
The InChIKey is VOQZEUIUQCGGEF-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H15F4NO5S2/c18-16(19)17(20,21)27-14-7-5-12(6-8-14)9-10-28(23,24)11-13-3-1-2-4-15(13)29(22,25)26/h1-10,16H,11H2,(H2,22,25,26)/b10-9+.
What are the key properties of 2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide?
2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide has a molecular weight of 453.44 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenyl]sulfonylmethyl]benzenesulfonamide is sourced from PubChem (CID 59635821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).