4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

C20H23FN2O5S — CID 16895139

IUPAC4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)N2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C20H23FN2O5S/c1-2-27-18-9-8-16(12-17(18)21)29(25,26)22-13-20(24)23-10-11-28-19(14-23)15-6-4-3-5-7-15/h3-9,12,19,22H,2,10-11,13-14H2,1H3
InChIKeyUUJZGEPYCXEHEI-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.10
Rot. Bonds7

About 4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide

4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 16895139) has the molecular formula C20H23FN2O5S and a molecular weight of 422.48 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID16895139
Molecular FormulaC20H23FN2O5S
Molecular Weight422.48 g/mol
Exact Mass422.13
IUPAC Name4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(=O)N2CCOC(c3ccccc3)C2)cc1F
InChIInChI=1S/C20H23FN2O5S/c1-2-27-18-9-8-16(12-17(18)21)29(25,26)22-13-20(24)23-10-11-28-19(14-23)15-6-4-3-5-7-15/h3-9,12,19,22H,2,10-11,13-14H2,1H3
InChIKeyUUJZGEPYCXEHEI-UHFFFAOYSA-N
XLogP2.10
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide (CID 16895139) is 4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC(=O)N2CCOC(c3ccccc3)C2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is UUJZGEPYCXEHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5S/c1-2-27-18-9-8-16(12-17(18)21)29(25,26)22-13-20(24)23-10-11-28-19(14-23)15-6-4-3-5-7-15/h3-9,12,19,22H,2,10-11,13-14H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide?
4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 422.48 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16895139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).