4-ethoxy-3-fluoro-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide

C20H19FN2O4S — CID 71809833

IUPAC4-ethoxy-3-fluoro-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccn3)c2)cc1F
InChIInChI=1S/C20H19FN2O4S/c1-2-26-19-10-9-17(13-18(19)21)28(24,25)23-14-15-6-5-7-16(12-15)27-20-8-3-4-11-22-20/h3-13,23H,2,14H2,1H3
InChIKeyKECABBUQCCHWAI-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.89
Rot. Bonds8

About 4-ethoxy-3-fluoro-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide

4-ethoxy-3-fluoro-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide (PubChem CID 71809833) has the molecular formula C20H19FN2O4S and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
PubChem CID71809833
Molecular FormulaC20H19FN2O4S
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC Name4-ethoxy-3-fluoro-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccn3)c2)cc1F
InChIInChI=1S/C20H19FN2O4S/c1-2-26-19-10-9-17(13-18(19)21)28(24,25)23-14-15-6-5-7-16(12-15)27-20-8-3-4-11-22-20/h3-13,23H,2,14H2,1H3
InChIKeyKECABBUQCCHWAI-UHFFFAOYSA-N
XLogP3.89
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.89
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-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide (CID 71809833) is 4-ethoxy-3-fluoro-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccn3)c2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
The InChIKey is KECABBUQCCHWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4S/c1-2-26-19-10-9-17(13-18(19)21)28(24,25)23-14-15-6-5-7-16(12-15)27-20-8-3-4-11-22-20/h3-13,23H,2,14H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide?
4-ethoxy-3-fluoro-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide has a molecular weight of 402.45 g/mol, XLogP of 3.89, 8 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-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 71809833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).