(4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane

C12H16F4NO4S2- — CID 157393188

IUPAC(4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane
SMILESC.C=Cc1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)CF)cc1.CF
InChIInChI=1S/C10H9F3NO4S2.CH3F.CH4/c1-2-8-3-5-9(6-4-8)19(15,16)14-20(17,18)10(12,13)7-11;1-2;/h2-6H,1,7H2;1H3;1H4/q-1;;
InChIKeyBMGIGXKPDWZEHN-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.51
Rot. Bonds6

About (4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane

(4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane (PubChem CID 157393188) has the molecular formula C12H16F4NO4S2- and a molecular weight of 378.39 g/mol. Its IUPAC name is (4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane.

Molecular Properties

Compound Name(4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane
PubChem CID157393188
Molecular FormulaC12H16F4NO4S2-
Molecular Weight378.39 g/mol
Exact Mass378.05
IUPAC Name(4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane
SMILESC.C=Cc1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)CF)cc1.CF
InChIInChI=1S/C10H9F3NO4S2.CH3F.CH4/c1-2-8-3-5-9(6-4-8)19(15,16)14-20(17,18)10(12,13)7-11;1-2;/h2-6H,1,7H2;1H3;1H4/q-1;;
InChIKeyBMGIGXKPDWZEHN-UHFFFAOYSA-N
XLogP3.51
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethenylphenyl)sulfonyl-fluorosulfonylazanide
CID 170776199
potassium benzenesulfonyl-(4-ethenylphenyl)sulfonylazanide
CID 101224201
(4-ethenylphenyl)-difluoromethanesulfonate
CID 59554748
zinc bis(4-ethenylbenzenesulfonate)
CID 22931380
4-ethenyl-N-(4-ethenylphenyl)sulfonyl-N-methylbenzenesulfonamide
CID 130458466
carbanylium;(4-ethenylphenyl)-difluoromethanesulfonate
CID 159575348
4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol
CID 170699603
aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate)
CID 175122600
diazanium;4-ethenylbenzenesulfonate;chloride
CID 177250725
[4-(2-methyloxiran-2-yl)phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 164777615
4-ethenylbenzenesulfonic acid;methanol
CID 172742090
(4-ethenylphenyl)-difluoromethanesulfonamide
CID 175410018

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane?
The IUPAC name of (4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane (CID 157393188) is (4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane.
What is the SMILES notation for (4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane?
The canonical SMILES for (4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane is C.C=Cc1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)CF)cc1.CF.
What is the InChIKey of (4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane?
The InChIKey is BMGIGXKPDWZEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3NO4S2.CH3F.CH4/c1-2-8-3-5-9(6-4-8)19(15,16)14-20(17,18)10(12,13)7-11;1-2;/h2-6H,1,7H2;1H3;1H4/q-1;;.
What are the key properties of (4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane?
(4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane has a molecular weight of 378.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)sulfonyl-(1,1,2-trifluoroethylsulfonyl)azanide;fluoromethane;methane is sourced from PubChem (CID 157393188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).