8-fluorooctane-1-sulfonamide

C8H18FNO2S — CID 54012231

IUPAC8-fluorooctane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCCCF
InChIInChI=1S/C8H18FNO2S/c9-7-5-3-1-2-4-6-8-13(10,11)12/h1-8H2,(H2,10,11,12)
InChIKeyKTDSRLMKLKMERL-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.59
Rot. Bonds8

About 8-fluorooctane-1-sulfonamide

8-fluorooctane-1-sulfonamide (PubChem CID 54012231) has the molecular formula C8H18FNO2S and a molecular weight of 211.30 g/mol. Its IUPAC name is 8-fluorooctane-1-sulfonamide.

Molecular Properties

Compound Name8-fluorooctane-1-sulfonamide
PubChem CID54012231
Molecular FormulaC8H18FNO2S
Molecular Weight211.30 g/mol
Exact Mass211.10
IUPAC Name8-fluorooctane-1-sulfonamide
SMILESNS(=O)(=O)CCCCCCCCF
InChIInChI=1S/C8H18FNO2S/c9-7-5-3-1-2-4-6-8-13(10,11)12/h1-8H2,(H2,10,11,12)
InChIKeyKTDSRLMKLKMERL-UHFFFAOYSA-N
XLogP1.59
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctane-1-sulfonamide
CID 11669093
1-octanesulfonic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, ammonium salt
CID 15333601
1-Decanesulfonic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-, ammonium salt (1:1)
CID 90470170
8:2 Fluorotelomer sulfonamide
CID 11504645
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1-octanesulfonamide
CID 165362507
Dodecane-1-sulfonamide
CID 110625
Hexadecane-1-sulfonamide
CID 19890540
1-Octanesulfonamide
CID 229597
N-methylsulfonyloctane-1-sulfonamide
CID 479458
Fluorooctane sulfonamide
CID 88724197
Perfluoro octane sulphonamide
CID 129714875
8-fluoro-N-methyloctane-1-sulfonamide
CID 91331565

Frequently Asked Questions

What is the IUPAC name of 8-fluorooctane-1-sulfonamide?
The IUPAC name of 8-fluorooctane-1-sulfonamide (CID 54012231) is 8-fluorooctane-1-sulfonamide.
What is the SMILES notation for 8-fluorooctane-1-sulfonamide?
The canonical SMILES for 8-fluorooctane-1-sulfonamide is NS(=O)(=O)CCCCCCCCF.
What is the InChIKey of 8-fluorooctane-1-sulfonamide?
The InChIKey is KTDSRLMKLKMERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2S/c9-7-5-3-1-2-4-6-8-13(10,11)12/h1-8H2,(H2,10,11,12).
What are the key properties of 8-fluorooctane-1-sulfonamide?
8-fluorooctane-1-sulfonamide has a molecular weight of 211.30 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluorooctane-1-sulfonamide is sourced from PubChem (CID 54012231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).