N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide

C14H12F4N2O8S4 — CID 126606304

IUPACN,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12F4N2O8S4/c15-13(16,31(25,26)19-29(21,22)11-7-3-1-4-8-11)14(17,18)32(27,28)20-30(23,24)12-9-5-2-6-10-12/h1-10,19-20H
InChIKeyRAAFXCMYFUBJPT-UHFFFAOYSA-N
MW540.52 g/mol
LogP0.79
Rot. Bonds9

About N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide

N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide (PubChem CID 126606304) has the molecular formula C14H12F4N2O8S4 and a molecular weight of 540.52 g/mol. Its IUPAC name is N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide.

Molecular Properties

Compound NameN,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide
PubChem CID126606304
Molecular FormulaC14H12F4N2O8S4
Molecular Weight540.52 g/mol
Exact Mass539.94
IUPAC NameN,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12F4N2O8S4/c15-13(16,31(25,26)19-29(21,22)11-7-3-1-4-8-11)14(17,18)32(27,28)20-30(23,24)12-9-5-2-6-10-12/h1-10,19-20H
InChIKeyRAAFXCMYFUBJPT-UHFFFAOYSA-N
XLogP0.79
TPSA160.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.52
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
N-sulfamoylbenzenesulfonamide
CID 54343510
N-(benzenesulfonyl)-3-fluorobenzenesulfonamide
CID 170984094
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide
CID 164941118
1,1,2,2-tetrafluoro-2-phenylsulfanyl-N-(1,1,2,2-tetrafluoro-2-phenylsulfanylethyl)sulfonylethanesulfonamide
CID 87462835
CID 88793655
CID 88793655
N-benzylsulfonylbenzenesulfonamide
CID 102116917
4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium
CID 102111013
4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 89334005
1,1,2,2-tetrafluoro-2-(phenylsulfamoyl)ethanesulfonic acid
CID 88855212
benzenesulfonohydrazide;hydrate
CID 21414143
ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 144895796

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide?
The IUPAC name of N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide (CID 126606304) is N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide.
What is the SMILES notation for N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide?
The canonical SMILES for N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide?
The InChIKey is RAAFXCMYFUBJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O8S4/c15-13(16,31(25,26)19-29(21,22)11-7-3-1-4-8-11)14(17,18)32(27,28)20-30(23,24)12-9-5-2-6-10-12/h1-10,19-20H.
What are the key properties of N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide?
N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide has a molecular weight of 540.52 g/mol, XLogP of 0.79, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide is sourced from PubChem (CID 126606304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).