N-(6-fluoro-6-methylheptyl)methanesulfonamide

C9H20FNO2S — CID 91482416

IUPACN-(6-fluoro-6-methylheptyl)methanesulfonamide
SMILESCC(C)(F)CCCCCNS(C)(=O)=O
InChIInChI=1S/C9H20FNO2S/c1-9(2,10)7-5-4-6-8-11-14(3,12)13/h11H,4-8H2,1-3H3
InChIKeyZDWYSPJVWIFUSN-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.84
Rot. Bonds7

About N-(6-fluoro-6-methylheptyl)methanesulfonamide

N-(6-fluoro-6-methylheptyl)methanesulfonamide (PubChem CID 91482416) has the molecular formula C9H20FNO2S and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(6-fluoro-6-methylheptyl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-6-methylheptyl)methanesulfonamide
PubChem CID91482416
Molecular FormulaC9H20FNO2S
Molecular Weight225.33 g/mol
Exact Mass225.12
IUPAC NameN-(6-fluoro-6-methylheptyl)methanesulfonamide
SMILESCC(C)(F)CCCCCNS(C)(=O)=O
InChIInChI=1S/C9H20FNO2S/c1-9(2,10)7-5-4-6-8-11-14(3,12)13/h11H,4-8H2,1-3H3
InChIKeyZDWYSPJVWIFUSN-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.84
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-(6-fluoro-6-methylheptyl)methanesulfonamide?
The IUPAC name of N-(6-fluoro-6-methylheptyl)methanesulfonamide (CID 91482416) is N-(6-fluoro-6-methylheptyl)methanesulfonamide.
What is the SMILES notation for N-(6-fluoro-6-methylheptyl)methanesulfonamide?
The canonical SMILES for N-(6-fluoro-6-methylheptyl)methanesulfonamide is CC(C)(F)CCCCCNS(C)(=O)=O.
What is the InChIKey of N-(6-fluoro-6-methylheptyl)methanesulfonamide?
The InChIKey is ZDWYSPJVWIFUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO2S/c1-9(2,10)7-5-4-6-8-11-14(3,12)13/h11H,4-8H2,1-3H3.
What are the key properties of N-(6-fluoro-6-methylheptyl)methanesulfonamide?
N-(6-fluoro-6-methylheptyl)methanesulfonamide has a molecular weight of 225.33 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-6-methylheptyl)methanesulfonamide is sourced from PubChem (CID 91482416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).