1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide

C6H8F7NO2S — CID 88559952

IUPAC1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide
SMILESCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F7NO2S/c1-2-3-14-17(15,16)6(12,13)4(7,8)5(9,10)11/h14H,2-3H2,1H3
InChIKeyLKODAFXJXSSRMV-UHFFFAOYSA-N
MW291.19 g/mol
LogP2.11
Rot. Bonds5

About 1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide

1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide (PubChem CID 88559952) has the molecular formula C6H8F7NO2S and a molecular weight of 291.19 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide
PubChem CID88559952
Molecular FormulaC6H8F7NO2S
Molecular Weight291.19 g/mol
Exact Mass291.02
IUPAC Name1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide
SMILESCCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F7NO2S/c1-2-3-14-17(15,16)6(12,13)4(7,8)5(9,10)11/h14H,2-3H2,1H3
InChIKeyLKODAFXJXSSRMV-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,3-heptafluoro-N-propylpropane-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

1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
CID 109968
1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-
CID 111914
N-ethyl perfluorobutanesulfonamide
CID 14661392
N-Ethyl perfluorohexylsulfonamide
CID 14661393
N-Ethyl perfluoropentane sulfonamide
CID 19931110
N-Propyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 14512906
N-Butylperfluorooctane-1-sulfonamide
CID 22149415
N-Hexylperfluorobutanesulfonamide
CID 85868528
N-Butyl-perfluorobutanesulfonamide
CID 86068657
N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
Propyl perfluorohexane sulfonamide
CID 19931112

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide (CID 88559952) is 1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide is CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide?
The InChIKey is LKODAFXJXSSRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F7NO2S/c1-2-3-14-17(15,16)6(12,13)4(7,8)5(9,10)11/h14H,2-3H2,1H3.
What are the key properties of 1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide?
1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide has a molecular weight of 291.19 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoro-N-propylpropane-1-sulfonamide is sourced from PubChem (CID 88559952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).