(2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

C16H11F9N2O3S — CID 159558431

IUPAC(2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SMILESO=S(=O)(ONN(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H11F9N2O3S/c17-13(18,15(21,22)23)14(19,20)16(24,25)31(28,29)30-26-27(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,26H
InChIKeyRDXGXVVQDXIPTQ-UHFFFAOYSA-N
MW482.32 g/mol
LogP5.02
Rot. Bonds8

About (2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

(2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (PubChem CID 159558431) has the molecular formula C16H11F9N2O3S and a molecular weight of 482.32 g/mol. Its IUPAC name is (2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.

Molecular Properties

Compound Name(2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
PubChem CID159558431
Molecular FormulaC16H11F9N2O3S
Molecular Weight482.32 g/mol
Exact Mass482.03
IUPAC Name(2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SMILESO=S(=O)(ONN(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H11F9N2O3S/c17-13(18,15(21,22)23)14(19,20)16(24,25)31(28,29)30-26-27(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,26H
InChIKeyRDXGXVVQDXIPTQ-UHFFFAOYSA-N
XLogP5.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.32
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)anilino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87902046
benzyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 45379801
(2,2-diphenylhydrazinyl) 2-(trifluoromethyl)benzenesulfonate
CID 151842769
(triphenyl-lambda4-sulfanyl) 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 12067461
[benzyl(diphenyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 141110031
[benzyl(dimethyl)-λ4-sulfanyl] 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonate
CID 139975045
[dimethyl(phenyl)silyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 15666297
fluoro 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;phenylsulfanylbenzene
CID 174437836
[N-(trifluoromethylsulfonyloxy)anilino] trifluoromethanesulfonate
CID 10937983
[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyloxy)phenyl]-diphenylsulfanium
CID 87293619
benzhydrylsulfanyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 139886138
[2-[2-[4-[2-[2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)phenyl]phenyl]phenyl]phenyl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 71519997

Frequently Asked Questions

What is the IUPAC name of (2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The IUPAC name of (2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CID 159558431) is (2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.
What is the SMILES notation for (2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The canonical SMILES for (2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is O=S(=O)(ONN(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The InChIKey is RDXGXVVQDXIPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F9N2O3S/c17-13(18,15(21,22)23)14(19,20)16(24,25)31(28,29)30-26-27(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,26H.
What are the key properties of (2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
(2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate has a molecular weight of 482.32 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diphenylhydrazinyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is sourced from PubChem (CID 159558431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).