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

C13H28FNO3S — CID 151054686

IUPAC1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
SMILESCCCCCCCC(F)S(=O)(=O)N(CCC)CCO
InChIInChI=1S/C13H28FNO3S/c1-3-5-6-7-8-9-13(14)19(17,18)15(10-4-2)11-12-16/h13,16H,3-12H2,1-2H3
InChIKeyMEWABMZPFIEETD-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.68
Rot. Bonds12

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

1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide (PubChem CID 151054686) has the molecular formula C13H28FNO3S and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide.

Molecular Properties

Compound Name1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
PubChem CID151054686
Molecular FormulaC13H28FNO3S
Molecular Weight297.44 g/mol
Exact Mass297.18
IUPAC Name1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
SMILESCCCCCCCC(F)S(=O)(=O)N(CCC)CCO
InChIInChI=1S/C13H28FNO3S/c1-3-5-6-7-8-9-13(14)19(17,18)15(10-4-2)11-12-16/h13,16H,3-12H2,1-2H3
InChIKeyMEWABMZPFIEETD-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.68
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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Related Compounds

2-(N-ethylperfluorooctanesulfonamido)ethyl alcohol
CID 74322
N-butylheptadecafluoro-N-(2-hydroxyethyl)octanesulphonamide
CID 102237
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-N-(2-hydroxyethyl)-N-methyl-1-octanesulfonamide
CID 138394918
Heptadecafluoro-N-(2-hydroxyethyl)-N-propyloctanesulphonamide
CID 107527
N-Ethyl-N-(2-hydroxyethyl)perfluorooctylsulphonamide-d9
CID 165360290
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-(2-hydroxyethyl)decane-1-sulfonamide
CID 20095946
12:2 Fluorotelomer sulfonamido propyl hydroxyl amine
CID 87451911
10:2 Fluorotelomer sulfonamido propyl hydroxyl amine
CID 87977051
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluoro-N-(2-hydroxyethyl)nonane-1-sulfonamide
CID 88377096
8-fluoro-N,N-bis(2-hydroxyethyl)octane-1-sulfonamide
CID 88682722
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(1-hydroxyethyl)-N-propyloctane-1-sulfonamide
CID 140004449
8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
CID 141120645

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide?
The IUPAC name of 1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide (CID 151054686) is 1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide.
What is the SMILES notation for 1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide?
The canonical SMILES for 1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide is CCCCCCCC(F)S(=O)(=O)N(CCC)CCO.
What is the InChIKey of 1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide?
The InChIKey is MEWABMZPFIEETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28FNO3S/c1-3-5-6-7-8-9-13(14)19(17,18)15(10-4-2)11-12-16/h13,16H,3-12H2,1-2H3.
What are the key properties of 1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide?
1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide has a molecular weight of 297.44 g/mol, XLogP of 2.68, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide is sourced from PubChem (CID 151054686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).