2-amino-N-(2,2-difluoroethyl)ethanesulfonamide

C4H10F2N2O2S — CID 115406477

IUPAC2-amino-N-(2,2-difluoroethyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCC(F)F
InChIInChI=1S/C4H10F2N2O2S/c5-4(6)3-8-11(9,10)2-1-7/h4,8H,1-3,7H2
InChIKeyCKBSTCTWHDTXFT-UHFFFAOYSA-N
MW188.20 g/mol
LogP-0.87
Rot. Bonds5

About 2-amino-N-(2,2-difluoroethyl)ethanesulfonamide

2-amino-N-(2,2-difluoroethyl)ethanesulfonamide (PubChem CID 115406477) has the molecular formula C4H10F2N2O2S and a molecular weight of 188.20 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoroethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoroethyl)ethanesulfonamide
PubChem CID115406477
Molecular FormulaC4H10F2N2O2S
Molecular Weight188.20 g/mol
Exact Mass188.04
IUPAC Name2-amino-N-(2,2-difluoroethyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCC(F)F
InChIInChI=1S/C4H10F2N2O2S/c5-4(6)3-8-11(9,10)2-1-7/h4,8H,1-3,7H2
InChIKeyCKBSTCTWHDTXFT-UHFFFAOYSA-N
XLogP-0.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoroethyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(2,2-difluoroethyl)ethanesulfonamide (CID 115406477) is 2-amino-N-(2,2-difluoroethyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoroethyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(2,2-difluoroethyl)ethanesulfonamide is NCCS(=O)(=O)NCC(F)F.
What is the InChIKey of 2-amino-N-(2,2-difluoroethyl)ethanesulfonamide?
The InChIKey is CKBSTCTWHDTXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F2N2O2S/c5-4(6)3-8-11(9,10)2-1-7/h4,8H,1-3,7H2.
What are the key properties of 2-amino-N-(2,2-difluoroethyl)ethanesulfonamide?
2-amino-N-(2,2-difluoroethyl)ethanesulfonamide has a molecular weight of 188.20 g/mol, XLogP of -0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoroethyl)ethanesulfonamide is sourced from PubChem (CID 115406477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).