5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide

C15H15F2NO4S — CID 30867051

IUPAC5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C15H15F2NO4S/c1-21-14-7-4-12(17)10-15(14)23(19,20)18-8-9-22-13-5-2-11(16)3-6-13/h2-7,10,18H,8-9H2,1H3
InChIKeyGPSUXMRJAPQQBK-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.33
Rot. Bonds7

About 5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide

5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 30867051) has the molecular formula C15H15F2NO4S and a molecular weight of 343.35 g/mol. Its IUPAC name is 5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
PubChem CID30867051
Molecular FormulaC15H15F2NO4S
Molecular Weight343.35 g/mol
Exact Mass343.07
IUPAC Name5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C15H15F2NO4S/c1-21-14-7-4-12(17)10-15(14)23(19,20)18-8-9-22-13-5-2-11(16)3-6-13/h2-7,10,18H,8-9H2,1H3
InChIKeyGPSUXMRJAPQQBK-UHFFFAOYSA-N
XLogP2.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide (CID 30867051) is 5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(F)cc1.
What is the InChIKey of 5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is GPSUXMRJAPQQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO4S/c1-21-14-7-4-12(17)10-15(14)23(19,20)18-8-9-22-13-5-2-11(16)3-6-13/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide?
5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 343.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 30867051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).