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

C13H28FNO3S — CID 141120645

IUPAC8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)CCCCCCCCF
InChIInChI=1S/C13H28FNO3S/c1-2-10-15(11-12-16)19(17,18)13-8-6-4-3-5-7-9-14/h16H,2-13H2,1H3
InChIKeyHHHBPERDXKBDSL-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.33
Rot. Bonds13

About 8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide

8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide (PubChem CID 141120645) has the molecular formula C13H28FNO3S and a molecular weight of 297.44 g/mol. Its IUPAC name is 8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
PubChem CID141120645
Molecular FormulaC13H28FNO3S
Molecular Weight297.44 g/mol
Exact Mass297.18
IUPAC Name8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)CCCCCCCCF
InChIInChI=1S/C13H28FNO3S/c1-2-10-15(11-12-16)19(17,18)13-8-6-4-3-5-7-9-14/h16H,2-13H2,1H3
InChIKeyHHHBPERDXKBDSL-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.33
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
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-N-(2-hydroxyethyl)-N-propyldodecane-1-sulfonamide
CID 141273803

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide?
The IUPAC name of 8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide (CID 141120645) is 8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide.
What is the SMILES notation for 8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide?
The canonical SMILES for 8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide is CCCN(CCO)S(=O)(=O)CCCCCCCCF.
What is the InChIKey of 8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide?
The InChIKey is HHHBPERDXKBDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28FNO3S/c1-2-10-15(11-12-16)19(17,18)13-8-6-4-3-5-7-9-14/h16H,2-13H2,1H3.
What are the key properties of 8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide?
8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide has a molecular weight of 297.44 g/mol, XLogP of 2.33, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(2-hydroxyethyl)-N-propyloctane-1-sulfonamide is sourced from PubChem (CID 141120645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).