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

C17H21FN2O4S — CID 52906848

IUPAC4-ethoxy-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CCOC)Cc2ccncc2)cc1F
InChIInChI=1S/C17H21FN2O4S/c1-3-24-17-5-4-15(12-16(17)18)25(21,22)20(10-11-23-2)13-14-6-8-19-9-7-14/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyYVIXGBSZFQXIKH-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.46
Rot. Bonds9

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

4-ethoxy-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 52906848) has the molecular formula C17H21FN2O4S and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID52906848
Molecular FormulaC17H21FN2O4S
Molecular Weight368.43 g/mol
Exact Mass368.12
IUPAC Name4-ethoxy-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(CCOC)Cc2ccncc2)cc1F
InChIInChI=1S/C17H21FN2O4S/c1-3-24-17-5-4-15(12-16(17)18)25(21,22)20(10-11-23-2)13-14-6-8-19-9-7-14/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyYVIXGBSZFQXIKH-UHFFFAOYSA-N
XLogP2.46
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 52906848) is 4-ethoxy-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(CCOC)Cc2ccncc2)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is YVIXGBSZFQXIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4S/c1-3-24-17-5-4-15(12-16(17)18)25(21,22)20(10-11-23-2)13-14-6-8-19-9-7-14/h4-9,12H,3,10-11,13H2,1-2H3.
What are the key properties of 4-ethoxy-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-ethoxy-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 368.43 g/mol, XLogP of 2.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 52906848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).