3-fluoro-N-methyloctane-1-sulfonamide

C9H20FNO2S — CID 102401456

IUPAC3-fluoro-N-methyloctane-1-sulfonamide
SMILESCCCCCC(F)CCS(=O)(=O)NC
InChIInChI=1S/C9H20FNO2S/c1-3-4-5-6-9(10)7-8-14(12,13)11-2/h9,11H,3-8H2,1-2H3
InChIKeySZVLBWLKSXTYGS-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.84
Rot. Bonds8

About 3-fluoro-N-methyloctane-1-sulfonamide

3-fluoro-N-methyloctane-1-sulfonamide (PubChem CID 102401456) has the molecular formula C9H20FNO2S and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-fluoro-N-methyloctane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methyloctane-1-sulfonamide
PubChem CID102401456
Molecular FormulaC9H20FNO2S
Molecular Weight225.33 g/mol
Exact Mass225.12
IUPAC Name3-fluoro-N-methyloctane-1-sulfonamide
SMILESCCCCCC(F)CCS(=O)(=O)NC
InChIInChI=1S/C9H20FNO2S/c1-3-4-5-6-9(10)7-8-14(12,13)11-2/h9,11H,3-8H2,1-2H3
InChIKeySZVLBWLKSXTYGS-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.84
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

Fluorooctane sulfonamide
CID 88724197
N-ethyl fluorooctane sulfonamide
CID 129829229
N-methyloctane-1-sulfonamide
CID 229599
8-fluoro-N-methyloctane-1-sulfonamide
CID 91331565
N-methyl fluoroctane sulfonamide
CID 129829200
n-Methyl fluorooctane sulfonamide
CID 129849786
N-methylhexane-1-sulfonamide
CID 13468212
N-Ethyl-1-octanesulfonamide
CID 15398682
N-ethyldodecanesulfonamide
CID 85832849
Methyl ammonium decylsulfonate
CID 129677448
8-Fluorooctane-1-sulfonamide
CID 54012231
N-(trifluoromethyl)hexadecane-1-sulfonamide
CID 58427285

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyloctane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-methyloctane-1-sulfonamide (CID 102401456) is 3-fluoro-N-methyloctane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-methyloctane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-methyloctane-1-sulfonamide is CCCCCC(F)CCS(=O)(=O)NC.
What is the InChIKey of 3-fluoro-N-methyloctane-1-sulfonamide?
The InChIKey is SZVLBWLKSXTYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO2S/c1-3-4-5-6-9(10)7-8-14(12,13)11-2/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-fluoro-N-methyloctane-1-sulfonamide?
3-fluoro-N-methyloctane-1-sulfonamide has a molecular weight of 225.33 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyloctane-1-sulfonamide is sourced from PubChem (CID 102401456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).