N-ethyl-3-fluorooctane-1-sulfonamide

C10H22FNO2S — CID 102401453

IUPACN-ethyl-3-fluorooctane-1-sulfonamide
SMILESCCCCCC(F)CCS(=O)(=O)NCC
InChIInChI=1S/C10H22FNO2S/c1-3-5-6-7-10(11)8-9-15(13,14)12-4-2/h10,12H,3-9H2,1-2H3
InChIKeyMHUBCIQCVVJBAA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.23
Rot. Bonds9

About N-ethyl-3-fluorooctane-1-sulfonamide

N-ethyl-3-fluorooctane-1-sulfonamide (PubChem CID 102401453) has the molecular formula C10H22FNO2S and a molecular weight of 239.36 g/mol. Its IUPAC name is N-ethyl-3-fluorooctane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3-fluorooctane-1-sulfonamide
PubChem CID102401453
Molecular FormulaC10H22FNO2S
Molecular Weight239.36 g/mol
Exact Mass239.14
IUPAC NameN-ethyl-3-fluorooctane-1-sulfonamide
SMILESCCCCCC(F)CCS(=O)(=O)NCC
InChIInChI=1S/C10H22FNO2S/c1-3-5-6-7-10(11)8-9-15(13,14)12-4-2/h10,12H,3-9H2,1-2H3
InChIKeyMHUBCIQCVVJBAA-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-ethyl-3-fluorooctane-1-sulfonamide?
The IUPAC name of N-ethyl-3-fluorooctane-1-sulfonamide (CID 102401453) is N-ethyl-3-fluorooctane-1-sulfonamide.
What is the SMILES notation for N-ethyl-3-fluorooctane-1-sulfonamide?
The canonical SMILES for N-ethyl-3-fluorooctane-1-sulfonamide is CCCCCC(F)CCS(=O)(=O)NCC.
What is the InChIKey of N-ethyl-3-fluorooctane-1-sulfonamide?
The InChIKey is MHUBCIQCVVJBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO2S/c1-3-5-6-7-10(11)8-9-15(13,14)12-4-2/h10,12H,3-9H2,1-2H3.
What are the key properties of N-ethyl-3-fluorooctane-1-sulfonamide?
N-ethyl-3-fluorooctane-1-sulfonamide has a molecular weight of 239.36 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluorooctane-1-sulfonamide is sourced from PubChem (CID 102401453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).