4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide

C13H19FN2O4S — CID 44564850

IUPAC4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)CN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O4S/c14-11-1-3-13(4-2-11)21(18,19)15-9-12(17)10-16-5-7-20-8-6-16/h1-4,12,15,17H,5-10H2
InChIKeyIWLAJQNRZHIPOD-UHFFFAOYSA-N
MW318.37 g/mol
LogP-0.20
Rot. Bonds6

About 4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide

4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 44564850) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID44564850
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)CN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O4S/c14-11-1-3-13(4-2-11)21(18,19)15-9-12(17)10-16-5-7-20-8-6-16/h1-4,12,15,17H,5-10H2
InChIKeyIWLAJQNRZHIPOD-UHFFFAOYSA-N
XLogP-0.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide (CID 44564850) is 4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide is O=S(=O)(NCC(O)CN1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is IWLAJQNRZHIPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c14-11-1-3-13(4-2-11)21(18,19)15-9-12(17)10-16-5-7-20-8-6-16/h1-4,12,15,17H,5-10H2.
What are the key properties of 4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide?
4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 318.37 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 44564850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).