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

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Related Compounds

1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
CID 58427695
1,1-difluoro-N-(2-methylpropyl)methanesulfonamide
CID 62735181
N-(2-cyanoethyl)-1,1,1-trifluoromethanesulfonamide
CID 139950052
N-[(1S)-1-cyano-2,2-difluoroethyl]-2-methylpropane-2-sulfonamide
CID 174234358
N-(1-cyanoethyl)-1,1-difluoromethanesulfonamide
CID 61122840
N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide
CID 61124055
N-(2-cyanopropan-2-yl)-1,1-difluoromethanesulfonamide
CID 61128074
N-(1-cyanopropan-2-yl)-1,1-difluoromethanesulfonamide
CID 62094801
N-(1-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 62645649
N-(2-cyanoethyl)-1,1-difluoromethanesulfonamide
CID 62651488
N-(3-amino-2-methylpropyl)-1,1-difluoromethanesulfonamide
CID 62667622
N-(3-cyanopropyl)-1,1-difluoromethanesulfonamide
CID 62668501

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).