N-(4-cyanobutyl)-1,1-difluoromethanesulfonamide

C6H10F2N2O2S — CID 63297279

IUPACN-(4-cyanobutyl)-1,1-difluoromethanesulfonamide
SMILESN#CCCCCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H10F2N2O2S/c7-6(8)13(11,12)10-5-3-1-2-4-9/h6,10H,1-3,5H2
InChIKeyXGVIOCWFOBFHNW-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.82
Rot. Bonds6

About N-(4-cyanobutyl)-1,1-difluoromethanesulfonamide

N-(4-cyanobutyl)-1,1-difluoromethanesulfonamide (PubChem CID 63297279) has the molecular formula C6H10F2N2O2S and a molecular weight of 212.22 g/mol. Its IUPAC name is N-(4-cyanobutyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(4-cyanobutyl)-1,1-difluoromethanesulfonamide
PubChem CID63297279
Molecular FormulaC6H10F2N2O2S
Molecular Weight212.22 g/mol
Exact Mass212.04
IUPAC NameN-(4-cyanobutyl)-1,1-difluoromethanesulfonamide
SMILESN#CCCCCNS(=O)(=O)C(F)F
InChIInChI=1S/C6H10F2N2O2S/c7-6(8)13(11,12)10-5-3-1-2-4-9/h6,10H,1-3,5H2
InChIKeyXGVIOCWFOBFHNW-UHFFFAOYSA-N
XLogP0.82
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanopentan-3-yl)-1,1,1-trifluoromethanesulfonamide
CID 138973901
1,1-difluoro-N-pentylmethanesulfonamide
CID 88766737
1,1-difluoro-N-pentylmethanesulfonamide
CID 88766737
N-(6-aminohexyl)-1,1,1-trifluoromethanesulfonamide
CID 175008562
N-(6-aminohexyl)-1,1,1-trifluoromethanesulfonamide
CID 175008562
N-(1-cyanobutyl)-1,1-difluoromethanesulfonamide
CID 61123071
N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide
CID 61124055
N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide
CID 61124055
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-cyanopropyl)-1,1-difluoromethanesulfonamide
CID 62668501

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanobutyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(4-cyanobutyl)-1,1-difluoromethanesulfonamide (CID 63297279) is N-(4-cyanobutyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(4-cyanobutyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(4-cyanobutyl)-1,1-difluoromethanesulfonamide is N#CCCCCNS(=O)(=O)C(F)F.
What is the InChIKey of N-(4-cyanobutyl)-1,1-difluoromethanesulfonamide?
The InChIKey is XGVIOCWFOBFHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O2S/c7-6(8)13(11,12)10-5-3-1-2-4-9/h6,10H,1-3,5H2.
What are the key properties of N-(4-cyanobutyl)-1,1-difluoromethanesulfonamide?
N-(4-cyanobutyl)-1,1-difluoromethanesulfonamide has a molecular weight of 212.22 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanobutyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 63297279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).