N-benzyl-1,1-difluoroethanesulfonamide

C9H11F2NO2S — CID 58435981

IUPACN-benzyl-1,1-difluoroethanesulfonamide
SMILESCC(F)(F)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C9H11F2NO2S/c1-9(10,11)15(13,14)12-7-8-5-3-2-4-6-8/h2-6,12H,7H2,1H3
InChIKeyIFBLBJLKHGRTHG-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.72
Rot. Bonds4

About N-benzyl-1,1-difluoroethanesulfonamide

N-benzyl-1,1-difluoroethanesulfonamide (PubChem CID 58435981) has the molecular formula C9H11F2NO2S and a molecular weight of 235.25 g/mol. Its IUPAC name is N-benzyl-1,1-difluoroethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-1,1-difluoroethanesulfonamide
PubChem CID58435981
Molecular FormulaC9H11F2NO2S
Molecular Weight235.25 g/mol
Exact Mass235.05
IUPAC NameN-benzyl-1,1-difluoroethanesulfonamide
SMILESCC(F)(F)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C9H11F2NO2S/c1-9(10,11)15(13,14)12-7-8-5-3-2-4-6-8/h2-6,12H,7H2,1H3
InChIKeyIFBLBJLKHGRTHG-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-benzyl-1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-2-sulfonamide
CID 171042037
CID 70601747
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1-difluoroethanesulfonamide?
The IUPAC name of N-benzyl-1,1-difluoroethanesulfonamide (CID 58435981) is N-benzyl-1,1-difluoroethanesulfonamide.
What is the SMILES notation for N-benzyl-1,1-difluoroethanesulfonamide?
The canonical SMILES for N-benzyl-1,1-difluoroethanesulfonamide is CC(F)(F)S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-1,1-difluoroethanesulfonamide?
The InChIKey is IFBLBJLKHGRTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2S/c1-9(10,11)15(13,14)12-7-8-5-3-2-4-6-8/h2-6,12H,7H2,1H3.
What are the key properties of N-benzyl-1,1-difluoroethanesulfonamide?
N-benzyl-1,1-difluoroethanesulfonamide has a molecular weight of 235.25 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1-difluoroethanesulfonamide is sourced from PubChem (CID 58435981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).