N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide

C12H26FNO3S — CID 178081917

IUPACN-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide
SMILESCCN(C(C)O)S(=O)(=O)CCCCCCCCF
InChIInChI=1S/C12H26FNO3S/c1-3-14(12(2)15)18(16,17)11-9-7-5-4-6-8-10-13/h12,15H,3-11H2,1-2H3
InChIKeyIIPJSYWERAJXFW-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.29
Rot. Bonds11

About N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide

N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide (PubChem CID 178081917) has the molecular formula C12H26FNO3S and a molecular weight of 283.41 g/mol. Its IUPAC name is N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide
PubChem CID178081917
Molecular FormulaC12H26FNO3S
Molecular Weight283.41 g/mol
Exact Mass283.16
IUPAC NameN-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide
SMILESCCN(C(C)O)S(=O)(=O)CCCCCCCCF
InChIInChI=1S/C12H26FNO3S/c1-3-14(12(2)15)18(16,17)11-9-7-5-4-6-8-10-13/h12,15H,3-11H2,1-2H3
InChIKeyIIPJSYWERAJXFW-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide?
The IUPAC name of N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide (CID 178081917) is N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide.
What is the SMILES notation for N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide?
The canonical SMILES for N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide is CCN(C(C)O)S(=O)(=O)CCCCCCCCF.
What is the InChIKey of N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide?
The InChIKey is IIPJSYWERAJXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FNO3S/c1-3-14(12(2)15)18(16,17)11-9-7-5-4-6-8-10-13/h12,15H,3-11H2,1-2H3.
What are the key properties of N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide?
N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide has a molecular weight of 283.41 g/mol, XLogP of 2.29, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-fluoro-N-(1-hydroxyethyl)octane-1-sulfonamide is sourced from PubChem (CID 178081917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).