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

C5H3F9NO2S- — CID 101381456

IUPACmethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
SMILESC[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9NO2S/c1-15-18(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3/q-1
InChIKeySQOSNOQJRODELB-UHFFFAOYSA-N
MW312.13 g/mol
LogP2.75
Rot. Bonds4

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

methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide (PubChem CID 101381456) has the molecular formula C5H3F9NO2S- and a molecular weight of 312.13 g/mol. Its IUPAC name is methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide.

Molecular Properties

Compound Namemethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
PubChem CID101381456
Molecular FormulaC5H3F9NO2S-
Molecular Weight312.13 g/mol
Exact Mass311.97
IUPAC Namemethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
SMILESC[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9NO2S/c1-15-18(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3/q-1
InChIKeySQOSNOQJRODELB-UHFFFAOYSA-N
XLogP2.75
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl(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 methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The IUPAC name of methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide (CID 101381456) is methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide.
What is the SMILES notation for methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The canonical SMILES for methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide is C[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
The InChIKey is SQOSNOQJRODELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9NO2S/c1-15-18(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3/q-1.
What are the key properties of methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide?
methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide has a molecular weight of 312.13 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide is sourced from PubChem (CID 101381456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).