N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide

C12H26FNO3S — CID 102401455

IUPACN-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
SMILESCCCCCCC(F)CS(=O)(=O)N(CC)CCO
InChIInChI=1S/C12H26FNO3S/c1-3-5-6-7-8-12(13)11-18(16,17)14(4-2)9-10-15/h12,15H,3-11H2,1-2H3
InChIKeyZBOANKTYBVTPTM-UHFFFAOYSA-N
MW283.41 g/mol
LogP1.94
Rot. Bonds11

About N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide

N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide (PubChem CID 102401455) has the molecular formula C12H26FNO3S and a molecular weight of 283.41 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
PubChem CID102401455
Molecular FormulaC12H26FNO3S
Molecular Weight283.41 g/mol
Exact Mass283.16
IUPAC NameN-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
SMILESCCCCCCC(F)CS(=O)(=O)N(CC)CCO
InChIInChI=1S/C12H26FNO3S/c1-3-5-6-7-8-12(13)11-18(16,17)14(4-2)9-10-15/h12,15H,3-11H2,1-2H3
InChIKeyZBOANKTYBVTPTM-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide?
The IUPAC name of N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide (CID 102401455) is N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide?
The canonical SMILES for N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide is CCCCCCC(F)CS(=O)(=O)N(CC)CCO.
What is the InChIKey of N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide?
The InChIKey is ZBOANKTYBVTPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FNO3S/c1-3-5-6-7-8-12(13)11-18(16,17)14(4-2)9-10-15/h12,15H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide?
N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide has a molecular weight of 283.41 g/mol, XLogP of 1.94, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide is sourced from PubChem (CID 102401455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).