1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane

C5H10F3NO5S2 — CID 91344923

IUPAC1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane
SMILESCC.CS(=O)(=O)NC(=O)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C3H4F3NO5S2.C2H6/c1-13(9,10)7-2(8)3(4,5)14(6,11)12;1-2/h1H3,(H,7,8);1-2H3
InChIKeyUPDUCGNXTWHAER-UHFFFAOYSA-N
MW285.27 g/mol
LogP-0.02
Rot. Bonds3

About 1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane

1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane (PubChem CID 91344923) has the molecular formula C5H10F3NO5S2 and a molecular weight of 285.27 g/mol. Its IUPAC name is 1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane.

Molecular Properties

Compound Name1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane
PubChem CID91344923
Molecular FormulaC5H10F3NO5S2
Molecular Weight285.27 g/mol
Exact Mass285.00
IUPAC Name1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane
SMILESCC.CS(=O)(=O)NC(=O)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C3H4F3NO5S2.C2H6/c1-13(9,10)7-2(8)3(4,5)14(6,11)12;1-2/h1H3,(H,7,8);1-2H3
InChIKeyUPDUCGNXTWHAER-UHFFFAOYSA-N
XLogP-0.02
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane?
The IUPAC name of 1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane (CID 91344923) is 1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane.
What is the SMILES notation for 1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane?
The canonical SMILES for 1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane is CC.CS(=O)(=O)NC(=O)C(F)(F)S(=O)(=O)F.
What is the InChIKey of 1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane?
The InChIKey is UPDUCGNXTWHAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3NO5S2.C2H6/c1-13(9,10)7-2(8)3(4,5)14(6,11)12;1-2/h1H3,(H,7,8);1-2H3.
What are the key properties of 1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane?
1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane has a molecular weight of 285.27 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(methanesulfonamido)-2-oxoethanesulfonyl fluoride;ethane is sourced from PubChem (CID 91344923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).