2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide

C4H10F3N3O4S2 — CID 114812421

IUPAC2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H10F3N3O4S2/c5-4(6,7)3-10-16(13,14)9-1-2-15(8,11)12/h9-10H,1-3H2,(H2,8,11,12)
InChIKeyWYCXMMFFPUFBAD-UHFFFAOYSA-N
MW285.27 g/mol
LogP-1.74
Rot. Bonds6

About 2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide

2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide (PubChem CID 114812421) has the molecular formula C4H10F3N3O4S2 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide
PubChem CID114812421
Molecular FormulaC4H10F3N3O4S2
Molecular Weight285.27 g/mol
Exact Mass285.01
IUPAC Name2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide
SMILESNS(=O)(=O)CCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H10F3N3O4S2/c5-4(6,7)3-10-16(13,14)9-1-2-15(8,11)12/h9-10H,1-3H2,(H2,8,11,12)
InChIKeyWYCXMMFFPUFBAD-UHFFFAOYSA-N
XLogP-1.74
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide (CID 114812421) is 2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide is NS(=O)(=O)CCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide?
The InChIKey is WYCXMMFFPUFBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F3N3O4S2/c5-4(6,7)3-10-16(13,14)9-1-2-15(8,11)12/h9-10H,1-3H2,(H2,8,11,12).
What are the key properties of 2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide?
2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide has a molecular weight of 285.27 g/mol, XLogP of -1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfamoylamino)ethanesulfonamide is sourced from PubChem (CID 114812421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).