N-ethoxy-3,5-difluorobenzenesulfonamide

C8H9F2NO3S — CID 60700443

IUPACN-ethoxy-3,5-difluorobenzenesulfonamide
SMILESCCONS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C8H9F2NO3S/c1-2-14-11-15(12,13)8-4-6(9)3-7(10)5-8/h3-5,11H,2H2,1H3
InChIKeyYMZJUAPWJSMYGH-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.19
Rot. Bonds4

About N-ethoxy-3,5-difluorobenzenesulfonamide

N-ethoxy-3,5-difluorobenzenesulfonamide (PubChem CID 60700443) has the molecular formula C8H9F2NO3S and a molecular weight of 237.23 g/mol. Its IUPAC name is N-ethoxy-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-ethoxy-3,5-difluorobenzenesulfonamide
PubChem CID60700443
Molecular FormulaC8H9F2NO3S
Molecular Weight237.23 g/mol
Exact Mass237.03
IUPAC NameN-ethoxy-3,5-difluorobenzenesulfonamide
SMILESCCONS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C8H9F2NO3S/c1-2-14-11-15(12,13)8-4-6(9)3-7(10)5-8/h3-5,11H,2H2,1H3
InChIKeyYMZJUAPWJSMYGH-UHFFFAOYSA-N
XLogP1.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-ethoxy-3,5-difluorobenzenesulfonamide (CID 60700443) is N-ethoxy-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-ethoxy-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-ethoxy-3,5-difluorobenzenesulfonamide is CCONS(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-ethoxy-3,5-difluorobenzenesulfonamide?
The InChIKey is YMZJUAPWJSMYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3S/c1-2-14-11-15(12,13)8-4-6(9)3-7(10)5-8/h3-5,11H,2H2,1H3.
What are the key properties of N-ethoxy-3,5-difluorobenzenesulfonamide?
N-ethoxy-3,5-difluorobenzenesulfonamide has a molecular weight of 237.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 60700443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).