2-(difluoromethylsulfonylamino)ethanesulfonamide

C3H8F2N2O4S2 — CID 61131850

IUPAC2-(difluoromethylsulfonylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNS(=O)(=O)C(F)F
InChIInChI=1S/C3H8F2N2O4S2/c4-3(5)13(10,11)7-1-2-12(6,8)9/h3,7H,1-2H2,(H2,6,8,9)
InChIKeyUVCZBKGBMLLKON-UHFFFAOYSA-N
MW238.24 g/mol
LogP-1.58
Rot. Bonds5

About 2-(difluoromethylsulfonylamino)ethanesulfonamide

2-(difluoromethylsulfonylamino)ethanesulfonamide (PubChem CID 61131850) has the molecular formula C3H8F2N2O4S2 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)ethanesulfonamide
PubChem CID61131850
Molecular FormulaC3H8F2N2O4S2
Molecular Weight238.24 g/mol
Exact Mass237.99
IUPAC Name2-(difluoromethylsulfonylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNS(=O)(=O)C(F)F
InChIInChI=1S/C3H8F2N2O4S2/c4-3(5)13(10,11)7-1-2-12(6,8)9/h3,7H,1-2H2,(H2,6,8,9)
InChIKeyUVCZBKGBMLLKON-UHFFFAOYSA-N
XLogP-1.58
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(Perfluoropropyl)sulfonyl]amino]propanesulfonic acid
CID 139595508
3-[(Perfluorobutanesulfonyl)amino]propane-1-sulfonic acid
CID 139596628
Perfluoromethane sulfonamido propyl sulfonate
CID 138395143
N-sulfo propyl perfluoroethane sulfonamide
CID 163323932
N-ethyl-2,2,2-trifluoroethanesulfonamide
CID 20718448
2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide
CID 22967974
1,1,1-trifluoro-N-(2-sulfanylethyl)methanesulfonamide
CID 23175138
2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 24691755
N-ethyl-2,2-difluoroethanesulfonamide
CID 54439869
N-(2,2-difluoroethyl)ethanesulfonamide
CID 79089686
N-butyl-N'-(difluoromethylsulfonyl)-1,2,3-trifluoropropane-1,3-disulfonamide
CID 90329067
2-amino-N-(2,2-difluoroethyl)ethanesulfonamide
CID 115406477

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)ethanesulfonamide?
The IUPAC name of 2-(difluoromethylsulfonylamino)ethanesulfonamide (CID 61131850) is 2-(difluoromethylsulfonylamino)ethanesulfonamide.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)ethanesulfonamide?
The canonical SMILES for 2-(difluoromethylsulfonylamino)ethanesulfonamide is NS(=O)(=O)CCNS(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonylamino)ethanesulfonamide?
The InChIKey is UVCZBKGBMLLKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8F2N2O4S2/c4-3(5)13(10,11)7-1-2-12(6,8)9/h3,7H,1-2H2,(H2,6,8,9).
What are the key properties of 2-(difluoromethylsulfonylamino)ethanesulfonamide?
2-(difluoromethylsulfonylamino)ethanesulfonamide has a molecular weight of 238.24 g/mol, XLogP of -1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)ethanesulfonamide is sourced from PubChem (CID 61131850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).