4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide

C17H19FN2O4S — CID 91790464

IUPAC4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O4S/c18-13-4-6-15(7-5-13)25(21,22)20-16-8-10-23-12-17(16)24-11-14-3-1-2-9-19-14/h1-7,9,16-17,20H,8,10-12H2/t16-,17-/m1/s1
InChIKeyLLFBMLAUANAYAJ-IAGOWNOFSA-N
MW366.41 g/mol
LogP1.87
Rot. Bonds6

About 4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide

4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide (PubChem CID 91790464) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide
PubChem CID91790464
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O4S/c18-13-4-6-15(7-5-13)25(21,22)20-16-8-10-23-12-17(16)24-11-14-3-1-2-9-19-14/h1-7,9,16-17,20H,8,10-12H2/t16-,17-/m1/s1
InChIKeyLLFBMLAUANAYAJ-IAGOWNOFSA-N
XLogP1.87
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide (CID 91790464) is 4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide?
The InChIKey is LLFBMLAUANAYAJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c18-13-4-6-15(7-5-13)25(21,22)20-16-8-10-23-12-17(16)24-11-14-3-1-2-9-19-14/h1-7,9,16-17,20H,8,10-12H2/t16-,17-/m1/s1.
What are the key properties of 4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide?
4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]benzenesulfonamide is sourced from PubChem (CID 91790464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).