3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide

C15H17FN2O3S — CID 16884370

IUPAC3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCOc1ccc(F)cc1)NCc1ccncc1
InChIInChI=1S/C15H17FN2O3S/c16-14-2-4-15(5-3-14)21-10-1-11-22(19,20)18-12-13-6-8-17-9-7-13/h2-9,18H,1,10-12H2
InChIKeyRKIXDWCVCTXFTB-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.11
Rot. Bonds8

About 3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide

3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide (PubChem CID 16884370) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
PubChem CID16884370
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC Name3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCOc1ccc(F)cc1)NCc1ccncc1
InChIInChI=1S/C15H17FN2O3S/c16-14-2-4-15(5-3-14)21-10-1-11-22(19,20)18-12-13-6-8-17-9-7-13/h2-9,18H,1,10-12H2
InChIKeyRKIXDWCVCTXFTB-UHFFFAOYSA-N
XLogP2.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.11
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 3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide (CID 16884370) is 3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide is O=S(=O)(CCCOc1ccc(F)cc1)NCc1ccncc1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide?
The InChIKey is RKIXDWCVCTXFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c16-14-2-4-15(5-3-14)21-10-1-11-22(19,20)18-12-13-6-8-17-9-7-13/h2-9,18H,1,10-12H2.
What are the key properties of 3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide?
3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide has a molecular weight of 324.38 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 16884370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).