5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide

C13H18FNO4S — CID 91797879

IUPAC5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide
SMILESCO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H18FNO4S/c1-9-3-4-10(14)7-13(9)20(16,17)15-11-8-19-6-5-12(11)18-2/h3-4,7,11-12,15H,5-6,8H2,1-2H3/t11-,12-/m1/s1
InChIKeyNRDBHTRWHGISNA-VXGBXAGGSA-N
MW303.36 g/mol
LogP1.22
Rot. Bonds4

About 5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide

5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide (PubChem CID 91797879) has the molecular formula C13H18FNO4S and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide
PubChem CID91797879
Molecular FormulaC13H18FNO4S
Molecular Weight303.36 g/mol
Exact Mass303.09
IUPAC Name5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide
SMILESCO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H18FNO4S/c1-9-3-4-10(14)7-13(9)20(16,17)15-11-8-19-6-5-12(11)18-2/h3-4,7,11-12,15H,5-6,8H2,1-2H3/t11-,12-/m1/s1
InChIKeyNRDBHTRWHGISNA-VXGBXAGGSA-N
XLogP1.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide (CID 91797879) is 5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide is CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is NRDBHTRWHGISNA-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-9-3-4-10(14)7-13(9)20(16,17)15-11-8-19-6-5-12(11)18-2/h3-4,7,11-12,15H,5-6,8H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide?
5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 303.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3R,4R)-4-methoxyoxan-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 91797879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).