N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide

C2H3F4NO4S2 — CID 87434293

IUPACN,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C2H3F4NO4S2/c1-12(8,9)7(6)13(10,11)2(3,4)5/h1H3
InChIKeyMHIQTZJIXLRTDH-UHFFFAOYSA-N
MW245.17 g/mol
LogP-0.02
Rot. Bonds2

About N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide

N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide (PubChem CID 87434293) has the molecular formula C2H3F4NO4S2 and a molecular weight of 245.17 g/mol. Its IUPAC name is N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide
PubChem CID87434293
Molecular FormulaC2H3F4NO4S2
Molecular Weight245.17 g/mol
Exact Mass244.94
IUPAC NameN,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C2H3F4NO4S2/c1-12(8,9)7(6)13(10,11)2(3,4)5/h1H3
InChIKeyMHIQTZJIXLRTDH-UHFFFAOYSA-N
XLogP-0.02
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide (CID 87434293) is N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide is CS(=O)(=O)N(F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide?
The InChIKey is MHIQTZJIXLRTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F4NO4S2/c1-12(8,9)7(6)13(10,11)2(3,4)5/h1H3.
What are the key properties of N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide?
N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide has a molecular weight of 245.17 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 87434293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).