4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide

C11H14FNO5S — CID 77059058

IUPAC4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CO[C@H](CO)[C@H]1O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO5S/c12-7-1-3-8(4-2-7)19(16,17)13-9-6-18-10(5-14)11(9)15/h1-4,9-11,13-15H,5-6H2/t9-,10-,11+/m1/s1
InChIKeyPXJBUZMMOMWUPJ-MXWKQRLJSA-N
MW291.30 g/mol
LogP-0.78
Rot. Bonds4

About 4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide

4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide (PubChem CID 77059058) has the molecular formula C11H14FNO5S and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide
PubChem CID77059058
Molecular FormulaC11H14FNO5S
Molecular Weight291.30 g/mol
Exact Mass291.06
IUPAC Name4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CO[C@H](CO)[C@H]1O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO5S/c12-7-1-3-8(4-2-7)19(16,17)13-9-6-18-10(5-14)11(9)15/h1-4,9-11,13-15H,5-6H2/t9-,10-,11+/m1/s1
InChIKeyPXJBUZMMOMWUPJ-MXWKQRLJSA-N
XLogP-0.78
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide (CID 77059058) is 4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1CO[C@H](CO)[C@H]1O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide?
The InChIKey is PXJBUZMMOMWUPJ-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H14FNO5S/c12-7-1-3-8(4-2-7)19(16,17)13-9-6-18-10(5-14)11(9)15/h1-4,9-11,13-15H,5-6H2/t9-,10-,11+/m1/s1.
What are the key properties of 4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide?
4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide has a molecular weight of 291.30 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 77059058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).