8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide

C12H26FNO4S — CID 88682722

IUPAC8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide
SMILESO=S(=O)(CCCCCCCCF)N(CCO)CCO
InChIInChI=1S/C12H26FNO4S/c13-7-5-3-1-2-4-6-12-19(17,18)14(8-10-15)9-11-16/h15-16H,1-12H2
InChIKeyDMKXPJFRVBMBGX-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.91
Rot. Bonds13

About 8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide

8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide (PubChem CID 88682722) has the molecular formula C12H26FNO4S and a molecular weight of 299.41 g/mol. Its IUPAC name is 8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide
PubChem CID88682722
Molecular FormulaC12H26FNO4S
Molecular Weight299.41 g/mol
Exact Mass299.16
IUPAC Name8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide
SMILESO=S(=O)(CCCCCCCCF)N(CCO)CCO
InChIInChI=1S/C12H26FNO4S/c13-7-5-3-1-2-4-6-12-19(17,18)14(8-10-15)9-11-16/h15-16H,1-12H2
InChIKeyDMKXPJFRVBMBGX-UHFFFAOYSA-N
XLogP0.91
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide?
The IUPAC name of 8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide (CID 88682722) is 8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide.
What is the SMILES notation for 8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide?
The canonical SMILES for 8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide is O=S(=O)(CCCCCCCCF)N(CCO)CCO.
What is the InChIKey of 8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide?
The InChIKey is DMKXPJFRVBMBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FNO4S/c13-7-5-3-1-2-4-6-12-19(17,18)14(8-10-15)9-11-16/h15-16H,1-12H2.
What are the key properties of 8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide?
8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide has a molecular weight of 299.41 g/mol, XLogP of 0.91, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide is sourced from PubChem (CID 88682722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).