2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide

C9H9F4NO3S — CID 84600045

IUPAC2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H9F4NO3S/c1-17-2-3-18(15,16)14-9-7(12)5(10)4-6(11)8(9)13/h4,14H,2-3H2,1H3
InChIKeyJCEOZQRZGQNJIZ-UHFFFAOYSA-N
MW287.23 g/mol
LogP1.63
Rot. Bonds5

About 2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide

2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide (PubChem CID 84600045) has the molecular formula C9H9F4NO3S and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide
PubChem CID84600045
Molecular FormulaC9H9F4NO3S
Molecular Weight287.23 g/mol
Exact Mass287.02
IUPAC Name2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H9F4NO3S/c1-17-2-3-18(15,16)14-9-7(12)5(10)4-6(11)8(9)13/h4,14H,2-3H2,1H3
InChIKeyJCEOZQRZGQNJIZ-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide?
The IUPAC name of 2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide (CID 84600045) is 2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide is COCCS(=O)(=O)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide?
The InChIKey is JCEOZQRZGQNJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO3S/c1-17-2-3-18(15,16)14-9-7(12)5(10)4-6(11)8(9)13/h4,14H,2-3H2,1H3.
What are the key properties of 2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide?
2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide has a molecular weight of 287.23 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2,3,5,6-tetrafluorophenyl)ethanesulfonamide is sourced from PubChem (CID 84600045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).