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

C10H22FNO3S — CID 174490658

IUPACN-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)N(F)CCO
InChIInChI=1S/C10H22FNO3S/c1-2-3-4-5-6-7-10-16(14,15)12(11)8-9-13/h13H,2-10H2,1H3
InChIKeySRJAMLXEFJKABX-UHFFFAOYSA-N
MW255.35 g/mol
LogP1.86
Rot. Bonds10

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

N-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide (PubChem CID 174490658) has the molecular formula C10H22FNO3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide.

Molecular Properties

Compound NameN-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
PubChem CID174490658
Molecular FormulaC10H22FNO3S
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC NameN-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)N(F)CCO
InChIInChI=1S/C10H22FNO3S/c1-2-3-4-5-6-7-10-16(14,15)12(11)8-9-13/h13H,2-10H2,1H3
InChIKeySRJAMLXEFJKABX-UHFFFAOYSA-N
XLogP1.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[fluoro(octylsulfonyl)amino]-2-methylidenepentanoic acid
CID 88651981
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
N,N-dimethylheptane-1-sulfonamide
CID 118391256
methyl 4-[hexyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 61460350
N-ethyl-N-methylheptane-1-sulfonamide
CID 131966885
N-butylsulfonyl-N-methylhexane-1-sulfonamide
CID 167138373
octylsulfonylmethanol
CID 71381698
N,N-diaminopentane-1-sulfonamide
CID 88729680
N,N-dipentylethanesulfonamide
CID 3453334
N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824
hydroxymethyl heptane-1-sulfonate
CID 174685391

Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide?
The IUPAC name of N-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide (CID 174490658) is N-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide.
What is the SMILES notation for N-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide?
The canonical SMILES for N-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide is CCCCCCCCS(=O)(=O)N(F)CCO.
What is the InChIKey of N-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide?
The InChIKey is SRJAMLXEFJKABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO3S/c1-2-3-4-5-6-7-10-16(14,15)12(11)8-9-13/h13H,2-10H2,1H3.
What are the key properties of N-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide?
N-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide has a molecular weight of 255.35 g/mol, XLogP of 1.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide is sourced from PubChem (CID 174490658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).