2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide

C13H19F2NO3S — CID 154772259

IUPAC2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)CCOCC(F)F)c1C
InChIInChI=1S/C13H19F2NO3S/c1-10-5-4-6-12(11(10)2)16(3)20(17,18)8-7-19-9-13(14)15/h4-6,13H,7-9H2,1-3H3
InChIKeyMRMDLBAFYDPODR-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.35
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide

2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide (PubChem CID 154772259) has the molecular formula C13H19F2NO3S and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide
PubChem CID154772259
Molecular FormulaC13H19F2NO3S
Molecular Weight307.36 g/mol
Exact Mass307.11
IUPAC Name2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)CCOCC(F)F)c1C
InChIInChI=1S/C13H19F2NO3S/c1-10-5-4-6-12(11(10)2)16(3)20(17,18)8-7-19-9-13(14)15/h4-6,13H,7-9H2,1-3H3
InChIKeyMRMDLBAFYDPODR-UHFFFAOYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide (CID 154772259) is 2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide is Cc1cccc(N(C)S(=O)(=O)CCOCC(F)F)c1C.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide?
The InChIKey is MRMDLBAFYDPODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO3S/c1-10-5-4-6-12(11(10)2)16(3)20(17,18)8-7-19-9-13(14)15/h4-6,13H,7-9H2,1-3H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide?
2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide has a molecular weight of 307.36 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-(2,3-dimethylphenyl)-N-methylethanesulfonamide is sourced from PubChem (CID 154772259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).