1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide

C4H8F3NO4S2 — CID 151114367

IUPAC1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
SMILESCC(S(N)(=O)=O)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NO4S2/c1-3(14(8,11)12)13(9,10)2-4(5,6)7/h3H,2H2,1H3,(H2,8,11,12)
InChIKeyMQVMHUYPUSYBDV-UHFFFAOYSA-N
MW255.24 g/mol
LogP-0.40
Rot. Bonds3

About 1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide

1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide (PubChem CID 151114367) has the molecular formula C4H8F3NO4S2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
PubChem CID151114367
Molecular FormulaC4H8F3NO4S2
Molecular Weight255.24 g/mol
Exact Mass254.98
IUPAC Name1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
SMILESCC(S(N)(=O)=O)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NO4S2/c1-3(14(8,11)12)13(9,10)2-4(5,6)7/h3H,2H2,1H3,(H2,8,11,12)
InChIKeyMQVMHUYPUSYBDV-UHFFFAOYSA-N
XLogP-0.40
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide?
The IUPAC name of 1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide (CID 151114367) is 1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide is CC(S(N)(=O)=O)S(=O)(=O)CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide?
The InChIKey is MQVMHUYPUSYBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO4S2/c1-3(14(8,11)12)13(9,10)2-4(5,6)7/h3H,2H2,1H3,(H2,8,11,12).
What are the key properties of 1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide?
1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide has a molecular weight of 255.24 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 151114367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).