azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate

C12H11BF4N2O2S — CID 88812164

IUPACazanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate
SMILESF[B-](F)(F)F.N#[NH+].O=S(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10O2S.BF4.N2/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)5;1-2/h1-10H;;/q;-1;/p+1
InChIKeyABDIVPSHFJLQKC-UHFFFAOYSA-O
MW334.10 g/mol
LogP2.10
Rot. Bonds2

About azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate

azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate (PubChem CID 88812164) has the molecular formula C12H11BF4N2O2S and a molecular weight of 334.10 g/mol. Its IUPAC name is azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate.

Molecular Properties

Compound Nameazanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate
PubChem CID88812164
Molecular FormulaC12H11BF4N2O2S
Molecular Weight334.10 g/mol
Exact Mass334.06
IUPAC Nameazanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate
SMILESF[B-](F)(F)F.N#[NH+].O=S(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10O2S.BF4.N2/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)5;1-2/h1-10H;;/q;-1;/p+1
InChIKeyABDIVPSHFJLQKC-UHFFFAOYSA-O
XLogP2.10
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.10
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl sulfone
CID 31386
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
1-Fluoro-4-(phenylsulphonyl)benzene
CID 67556
1-Fluoro-2-(phenylsulfonyl)benzene
CID 640913
Diphenyl(trifluoromethyl)sulfanium trifluoromethanesulfonate
CID 18401167
S-(trifluoromethyl)phenyl-4-fluorophenylsulfonium Triflate
CID 10669907
Benzene, 1-fluoro-3-(phenylsulfonyl)-
CID 640918
N-(diphenyl-lambda4-sulfanylidene)trifluoromethanesulfonamide
CID 14359341
1,1,1-trifluoro-N-[oxo(diphenyl)-lambda6-sulfanylidene]methanesulfonamide
CID 14359342
S-(trifluoromethyl)phenyl-2,4-difluorophenylsulfonium Triflate
CID 10551071
[Diphenyl(trifluoromethyl)-lambda4-sulfanyl] trifluoromethanesulfonate
CID 15373452
Fluorophenyl sulfone
CID 15741789

Frequently Asked Questions

What is the IUPAC name of azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate?
The IUPAC name of azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate (CID 88812164) is azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate.
What is the SMILES notation for azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate?
The canonical SMILES for azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate is F[B-](F)(F)F.N#[NH+].O=S(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate?
The InChIKey is ABDIVPSHFJLQKC-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H10O2S.BF4.N2/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)5;1-2/h1-10H;;/q;-1;/p+1.
What are the key properties of azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate?
azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate has a molecular weight of 334.10 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneazanium;benzenesulfonylbenzene;tetrafluoroborate is sourced from PubChem (CID 88812164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).