2-fluoro-2-(methanesulfonamido)hexanoic acid

C7H14FNO4S — CID 70006923

IUPAC2-fluoro-2-(methanesulfonamido)hexanoic acid
SMILESCCCCC(F)(NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H14FNO4S/c1-3-4-5-7(8,6(10)11)9-14(2,12)13/h9H,3-5H2,1-2H3,(H,10,11)
InChIKeyHMBFGTQIXJDPIF-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.48
Rot. Bonds6

About 2-fluoro-2-(methanesulfonamido)hexanoic acid

2-fluoro-2-(methanesulfonamido)hexanoic acid (PubChem CID 70006923) has the molecular formula C7H14FNO4S and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-fluoro-2-(methanesulfonamido)hexanoic acid.

Molecular Properties

Compound Name2-fluoro-2-(methanesulfonamido)hexanoic acid
PubChem CID70006923
Molecular FormulaC7H14FNO4S
Molecular Weight227.26 g/mol
Exact Mass227.06
IUPAC Name2-fluoro-2-(methanesulfonamido)hexanoic acid
SMILESCCCCC(F)(NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H14FNO4S/c1-3-4-5-7(8,6(10)11)9-14(2,12)13/h9H,3-5H2,1-2H3,(H,10,11)
InChIKeyHMBFGTQIXJDPIF-UHFFFAOYSA-N
XLogP0.48
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(methanesulfonamido)hexanoic acid?
The IUPAC name of 2-fluoro-2-(methanesulfonamido)hexanoic acid (CID 70006923) is 2-fluoro-2-(methanesulfonamido)hexanoic acid.
What is the SMILES notation for 2-fluoro-2-(methanesulfonamido)hexanoic acid?
The canonical SMILES for 2-fluoro-2-(methanesulfonamido)hexanoic acid is CCCCC(F)(NS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-fluoro-2-(methanesulfonamido)hexanoic acid?
The InChIKey is HMBFGTQIXJDPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO4S/c1-3-4-5-7(8,6(10)11)9-14(2,12)13/h9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-fluoro-2-(methanesulfonamido)hexanoic acid?
2-fluoro-2-(methanesulfonamido)hexanoic acid has a molecular weight of 227.26 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(methanesulfonamido)hexanoic acid is sourced from PubChem (CID 70006923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).