N-(2-cyanopropyl)-1,1-difluoromethanesulfonamide

C5H8F2N2O2S — CID 62651867

IUPACN-(2-cyanopropyl)-1,1-difluoromethanesulfonamide
SMILESCC(C#N)CNS(=O)(=O)C(F)F
InChIInChI=1S/C5H8F2N2O2S/c1-4(2-8)3-9-12(10,11)5(6)7/h4-5,9H,3H2,1H3
InChIKeyYFRMJNPJNAPPCA-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.29
Rot. Bonds4

About N-(2-cyanopropyl)-1,1-difluoromethanesulfonamide

N-(2-cyanopropyl)-1,1-difluoromethanesulfonamide (PubChem CID 62651867) has the molecular formula C5H8F2N2O2S and a molecular weight of 198.19 g/mol. Its IUPAC name is N-(2-cyanopropyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-1,1-difluoromethanesulfonamide
PubChem CID62651867
Molecular FormulaC5H8F2N2O2S
Molecular Weight198.19 g/mol
Exact Mass198.03
IUPAC NameN-(2-cyanopropyl)-1,1-difluoromethanesulfonamide
SMILESCC(C#N)CNS(=O)(=O)C(F)F
InChIInChI=1S/C5H8F2N2O2S/c1-4(2-8)3-9-12(10,11)5(6)7/h4-5,9H,3H2,1H3
InChIKeyYFRMJNPJNAPPCA-UHFFFAOYSA-N
XLogP0.29
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanopropyl)-1,1-difluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-cyanopropyl)-1,1-difluoromethanesulfonamide (CID 62651867) is N-(2-cyanopropyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-1,1-difluoromethanesulfonamide is CC(C#N)CNS(=O)(=O)C(F)F.
What is the InChIKey of N-(2-cyanopropyl)-1,1-difluoromethanesulfonamide?
The InChIKey is YFRMJNPJNAPPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O2S/c1-4(2-8)3-9-12(10,11)5(6)7/h4-5,9H,3H2,1H3.
What are the key properties of N-(2-cyanopropyl)-1,1-difluoromethanesulfonamide?
N-(2-cyanopropyl)-1,1-difluoromethanesulfonamide has a molecular weight of 198.19 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 62651867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).