2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide

C11H24FNO3S — CID 102401454

IUPAC2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide
SMILESCCCCCCC(F)CS(=O)(=O)N(C)CCO
InChIInChI=1S/C11H24FNO3S/c1-3-4-5-6-7-11(12)10-17(15,16)13(2)8-9-14/h11,14H,3-10H2,1-2H3
InChIKeyFNANHAJDQMHAOL-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.55
Rot. Bonds10

About 2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide

2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide (PubChem CID 102401454) has the molecular formula C11H24FNO3S and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide
PubChem CID102401454
Molecular FormulaC11H24FNO3S
Molecular Weight269.38 g/mol
Exact Mass269.15
IUPAC Name2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide
SMILESCCCCCCC(F)CS(=O)(=O)N(C)CCO
InChIInChI=1S/C11H24FNO3S/c1-3-4-5-6-7-11(12)10-17(15,16)13(2)8-9-14/h11,14H,3-10H2,1-2H3
InChIKeyFNANHAJDQMHAOL-UHFFFAOYSA-N
XLogP1.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide?
The IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide (CID 102401454) is 2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide is CCCCCCC(F)CS(=O)(=O)N(C)CCO.
What is the InChIKey of 2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide?
The InChIKey is FNANHAJDQMHAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO3S/c1-3-4-5-6-7-11(12)10-17(15,16)13(2)8-9-14/h11,14H,3-10H2,1-2H3.
What are the key properties of 2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide?
2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide has a molecular weight of 269.38 g/mol, XLogP of 1.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide is sourced from PubChem (CID 102401454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).