8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide

C11H8FNO2S — CID 20761076

IUPAC8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide
SMILESCCCNS(=O)(=O)C#CC#CC#CC#CF
InChIInChI=1S/C11H8FNO2S/c1-2-10-13-16(14,15)11-8-6-4-3-5-7-9-12/h13H,2,10H2,1H3
InChIKeyFNGIMSSNNJIPNU-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.21
Rot. Bonds3

About 8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide

8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide (PubChem CID 20761076) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide
PubChem CID20761076
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide
SMILESCCCNS(=O)(=O)C#CC#CC#CC#CF
InChIInChI=1S/C11H8FNO2S/c1-2-10-13-16(14,15)11-8-6-4-3-5-7-9-12/h13H,2,10H2,1H3
InChIKeyFNGIMSSNNJIPNU-UHFFFAOYSA-N
XLogP0.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoropropyl)methanesulfonamide
CID 18686378
1-fluoro-N-propylmethanesulfonamide
CID 88970211
N-(2-fluoroethyl)-2-methylpropane-2-sulfonamide
CID 118423494
N-(3-fluoropropyl)methanesulfonamide
CID 130163193
N-propylprop-1-yne-1-sulfonamide
CID 153929926
N-propan-2-ylprop-1-yne-1-sulfonamide
CID 162494750
N-but-2-ynyl-2-methylpropane-2-sulfonamide
CID 167346891
N-(2-methylpropyl)prop-1-yne-1-sulfonamide
CID 168833670
N-hept-3-ynylmethanesulfonamide
CID 132500860

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide?
The IUPAC name of 8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide (CID 20761076) is 8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide.
What is the SMILES notation for 8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide?
The canonical SMILES for 8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide is CCCNS(=O)(=O)C#CC#CC#CC#CF.
What is the InChIKey of 8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide?
The InChIKey is FNGIMSSNNJIPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c1-2-10-13-16(14,15)11-8-6-4-3-5-7-9-12/h13H,2,10H2,1H3.
What are the key properties of 8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide?
8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide has a molecular weight of 237.25 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide is sourced from PubChem (CID 20761076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).