7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C13H15FN2O5S — CID 146143545

IUPAC7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)N[C@H]3COC[C@H]3O)c(F)cc2N1
InChIInChI=1S/C13H15FN2O5S/c14-8-4-9-7(1-2-13(18)15-9)3-12(8)22(19,20)16-10-5-21-6-11(10)17/h3-4,10-11,16-17H,1-2,5-6H2,(H,15,18)/t10-,11+/m0/s1
InChIKeyAUWNLBNVBNAZEA-WDEREUQCSA-N
MW330.34 g/mol
LogP-0.25
Rot. Bonds3

About 7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 146143545) has the molecular formula C13H15FN2O5S and a molecular weight of 330.34 g/mol. Its IUPAC name is 7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID146143545
Molecular FormulaC13H15FN2O5S
Molecular Weight330.34 g/mol
Exact Mass330.07
IUPAC Name7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)N[C@H]3COC[C@H]3O)c(F)cc2N1
InChIInChI=1S/C13H15FN2O5S/c14-8-4-9-7(1-2-13(18)15-9)3-12(8)22(19,20)16-10-5-21-6-11(10)17/h3-4,10-11,16-17H,1-2,5-6H2,(H,15,18)/t10-,11+/m0/s1
InChIKeyAUWNLBNVBNAZEA-WDEREUQCSA-N
XLogP-0.25
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of 7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 146143545) is 7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for 7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)N[C@H]3COC[C@H]3O)c(F)cc2N1.
What is the InChIKey of 7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is AUWNLBNVBNAZEA-WDEREUQCSA-N. The full InChI is InChI=1S/C13H15FN2O5S/c14-8-4-9-7(1-2-13(18)15-9)3-12(8)22(19,20)16-10-5-21-6-11(10)17/h3-4,10-11,16-17H,1-2,5-6H2,(H,15,18)/t10-,11+/m0/s1.
What are the key properties of 7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 330.34 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 146143545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).