N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C6H7F9N2O2S — CID 161346373

IUPACN-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESNCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F9N2O2S/c7-3(8,5(11,12)13)4(9,10)6(14,15)20(18,19)17-2-1-16/h17H,1-2,16H2
InChIKeyVNIQNXFSVBOMBH-UHFFFAOYSA-N
MW342.18 g/mol
LogP1.29
Rot. Bonds6

About N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 161346373) has the molecular formula C6H7F9N2O2S and a molecular weight of 342.18 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID161346373
Molecular FormulaC6H7F9N2O2S
Molecular Weight342.18 g/mol
Exact Mass342.01
IUPAC NameN-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESNCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F9N2O2S/c7-3(8,5(11,12)13)4(9,10)6(14,15)20(18,19)17-2-1-16/h17H,1-2,16H2
InChIKeyVNIQNXFSVBOMBH-UHFFFAOYSA-N
XLogP1.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl perfluorobutanesulfonamide
CID 14661392
N-Ethyl perfluoropentane sulfonamide
CID 19931110
N-Ethylperfluoroethanesulfonamide
CID 44717412
N-ethyl perfluoropropane sulfonamide
CID 129294817
N-(2-aminoethyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 15766632
N-propylperfluorobutanesulfonamide
CID 22169334
N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide
CID 43603512
N-(2-aminoethyl)-N,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane-1-sulfonamide
CID 54103322
1,1,2,2,2-pentafluoro-N-(2,2,3,3,3-pentafluoropropyl)ethanesulfonamide
CID 57935455
N,N'-Ethylenebis(trifluoromethanesulfonamide)
CID 58173847
1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide
CID 59713180
C4F9SO2-N(CH3)CH2CH2-NH2
CID 86649493

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 161346373) is N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is NCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is VNIQNXFSVBOMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F9N2O2S/c7-3(8,5(11,12)13)4(9,10)6(14,15)20(18,19)17-2-1-16/h17H,1-2,16H2.
What are the key properties of N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 342.18 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 161346373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).