bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide

C8F18NO4S2- — CID 58814449

IUPACbis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F18NO4S2/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22/q-1
InChIKeyNZVHWHGEOSKBDQ-UHFFFAOYSA-N
MW580.19 g/mol
LogP4.87
Rot. Bonds8

About bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide

bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide (PubChem CID 58814449) has the molecular formula C8F18NO4S2- and a molecular weight of 580.19 g/mol. Its IUPAC name is bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide.

Molecular Properties

Compound Namebis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
PubChem CID58814449
Molecular FormulaC8F18NO4S2-
Molecular Weight580.19 g/mol
Exact Mass579.90
IUPAC Namebis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F18NO4S2/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22/q-1
InChIKeyNZVHWHGEOSKBDQ-UHFFFAOYSA-N
XLogP4.87
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.19
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The IUPAC name of bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide (CID 58814449) is bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide.
What is the SMILES notation for bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The canonical SMILES for bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The InChIKey is NZVHWHGEOSKBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F18NO4S2/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22/q-1.
What are the key properties of bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide has a molecular weight of 580.19 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide is sourced from PubChem (CID 58814449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).