N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide

C9H15F2NO2S — CID 67574876

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1CC2CCC1C2)C(F)F
InChIInChI=1S/C9H15F2NO2S/c10-9(11)15(13,14)12-5-8-4-6-1-2-7(8)3-6/h6-9,12H,1-5H2
InChIKeyYBEHHBKWLORWHI-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.56
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide (PubChem CID 67574876) has the molecular formula C9H15F2NO2S and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide
PubChem CID67574876
Molecular FormulaC9H15F2NO2S
Molecular Weight239.29 g/mol
Exact Mass239.08
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1CC2CCC1C2)C(F)F
InChIInChI=1S/C9H15F2NO2S/c10-9(11)15(13,14)12-5-8-4-6-1-2-7(8)3-6/h6-9,12H,1-5H2
InChIKeyYBEHHBKWLORWHI-UHFFFAOYSA-N
XLogP1.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide (CID 67574876) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide is O=S(=O)(NCC1CC2CCC1C2)C(F)F.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide?
The InChIKey is YBEHHBKWLORWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2S/c10-9(11)15(13,14)12-5-8-4-6-1-2-7(8)3-6/h6-9,12H,1-5H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide has a molecular weight of 239.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 67574876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).