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

C11H24FNO3S — CID 178081918

IUPAC8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide
SMILESCC(O)N(C)S(=O)(=O)CCCCCCCCF
InChIInChI=1S/C11H24FNO3S/c1-11(14)13(2)17(15,16)10-8-6-4-3-5-7-9-12/h11,14H,3-10H2,1-2H3
InChIKeySBYILQHQVLXQEU-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.90
Rot. Bonds10

About 8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide

8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide (PubChem CID 178081918) has the molecular formula C11H24FNO3S and a molecular weight of 269.38 g/mol. Its IUPAC name is 8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide
PubChem CID178081918
Molecular FormulaC11H24FNO3S
Molecular Weight269.38 g/mol
Exact Mass269.15
IUPAC Name8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide
SMILESCC(O)N(C)S(=O)(=O)CCCCCCCCF
InChIInChI=1S/C11H24FNO3S/c1-11(14)13(2)17(15,16)10-8-6-4-3-5-7-9-12/h11,14H,3-10H2,1-2H3
InChIKeySBYILQHQVLXQEU-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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 8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide?
The IUPAC name of 8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide (CID 178081918) is 8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide.
What is the SMILES notation for 8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide?
The canonical SMILES for 8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide is CC(O)N(C)S(=O)(=O)CCCCCCCCF.
What is the InChIKey of 8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide?
The InChIKey is SBYILQHQVLXQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO3S/c1-11(14)13(2)17(15,16)10-8-6-4-3-5-7-9-12/h11,14H,3-10H2,1-2H3.
What are the key properties of 8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide?
8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide has a molecular weight of 269.38 g/mol, XLogP of 1.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(1-hydroxyethyl)-N-methyloctane-1-sulfonamide is sourced from PubChem (CID 178081918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).