2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide

C4H9F3N2O4S2 — CID 22967974

IUPAC2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide
SMILESCNS(=O)(=O)C(C(F)(F)F)S(=O)(=O)NC
InChIInChI=1S/C4H9F3N2O4S2/c1-8-14(10,11)3(4(5,6)7)15(12,13)9-2/h3,8-9H,1-2H3
InChIKeyPLMBKAFYOVPUNY-UHFFFAOYSA-N
MW270.25 g/mol
LogP-1.03
Rot. Bonds4

About 2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide

2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide (PubChem CID 22967974) has the molecular formula C4H9F3N2O4S2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide
PubChem CID22967974
Molecular FormulaC4H9F3N2O4S2
Molecular Weight270.25 g/mol
Exact Mass270.00
IUPAC Name2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide
SMILESCNS(=O)(=O)C(C(F)(F)F)S(=O)(=O)NC
InChIInChI=1S/C4H9F3N2O4S2/c1-8-14(10,11)3(4(5,6)7)15(12,13)9-2/h3,8-9H,1-2H3
InChIKeyPLMBKAFYOVPUNY-UHFFFAOYSA-N
XLogP-1.03
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide?
The IUPAC name of 2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide (CID 22967974) is 2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide?
The canonical SMILES for 2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide is CNS(=O)(=O)C(C(F)(F)F)S(=O)(=O)NC.
What is the InChIKey of 2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide?
The InChIKey is PLMBKAFYOVPUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O4S2/c1-8-14(10,11)3(4(5,6)7)15(12,13)9-2/h3,8-9H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide?
2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide has a molecular weight of 270.25 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide is sourced from PubChem (CID 22967974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).