2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide

C11H16FNO3S — CID 123616652

IUPAC2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide
SMILESCc1cccc(OCCS(=O)(=O)N(C)C)c1F
InChIInChI=1S/C11H16FNO3S/c1-9-5-4-6-10(11(9)12)16-7-8-17(14,15)13(2)3/h4-6H,7-8H2,1-3H3
InChIKeyFLBNPIVGQZRBQK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.40
Rot. Bonds5

About 2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide

2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide (PubChem CID 123616652) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide
PubChem CID123616652
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide
SMILESCc1cccc(OCCS(=O)(=O)N(C)C)c1F
InChIInChI=1S/C11H16FNO3S/c1-9-5-4-6-10(11(9)12)16-7-8-17(14,15)13(2)3/h4-6H,7-8H2,1-3H3
InChIKeyFLBNPIVGQZRBQK-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide (CID 123616652) is 2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide is Cc1cccc(OCCS(=O)(=O)N(C)C)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide?
The InChIKey is FLBNPIVGQZRBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-9-5-4-6-10(11(9)12)16-7-8-17(14,15)13(2)3/h4-6H,7-8H2,1-3H3.
What are the key properties of 2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide?
2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 123616652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).