4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

C22H23FN2O3S — CID 52906765

IUPAC4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1F
InChIInChI=1S/C22H23FN2O3S/c1-2-28-22-12-11-20(16-21(22)23)29(26,27)25(17-19-10-6-7-14-24-19)15-13-18-8-4-3-5-9-18/h3-12,14,16H,2,13,15,17H2,1H3
InChIKeyLZEVMHSKSUVQRY-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.05
Rot. Bonds9

About 4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 52906765) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID52906765
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1F
InChIInChI=1S/C22H23FN2O3S/c1-2-28-22-12-11-20(16-21(22)23)29(26,27)25(17-19-10-6-7-14-24-19)15-13-18-8-4-3-5-9-18/h3-12,14,16H,2,13,15,17H2,1H3
InChIKeyLZEVMHSKSUVQRY-UHFFFAOYSA-N
XLogP4.05
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 52906765) is 4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is LZEVMHSKSUVQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-2-28-22-12-11-20(16-21(22)23)29(26,27)25(17-19-10-6-7-14-24-19)15-13-18-8-4-3-5-9-18/h3-12,14,16H,2,13,15,17H2,1H3.
What are the key properties of 4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 414.50 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 52906765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).