N-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide

C23H23FN4O4S2 — CID 71653187

IUPACN-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide
SMILESO=C1O[C@@H](CNS(=O)(=O)c2cccc3cccnc23)CN1c1ccc(N2CCSCC2)c(F)c1
InChIInChI=1S/C23H23FN4O4S2/c24-19-13-17(6-7-20(19)27-9-11-33-12-10-27)28-15-18(32-23(28)29)14-26-34(30,31)21-5-1-3-16-4-2-8-25-22(16)21/h1-8,13,18,26H,9-12,14-15H2/t18-/m0/s1
InChIKeyHPOVKRSJIDKCOJ-SFHVURJKSA-N
MW502.59 g/mol
LogP3.23
Rot. Bonds6

About N-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide

N-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide (PubChem CID 71653187) has the molecular formula C23H23FN4O4S2 and a molecular weight of 502.59 g/mol. Its IUPAC name is N-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide
PubChem CID71653187
Molecular FormulaC23H23FN4O4S2
Molecular Weight502.59 g/mol
Exact Mass502.11
IUPAC NameN-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide
SMILESO=C1O[C@@H](CNS(=O)(=O)c2cccc3cccnc23)CN1c1ccc(N2CCSCC2)c(F)c1
InChIInChI=1S/C23H23FN4O4S2/c24-19-13-17(6-7-20(19)27-9-11-33-12-10-27)28-15-18(32-23(28)29)14-26-34(30,31)21-5-1-3-16-4-2-8-25-22(16)21/h1-8,13,18,26H,9-12,14-15H2/t18-/m0/s1
InChIKeyHPOVKRSJIDKCOJ-SFHVURJKSA-N
XLogP3.23
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.59
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide (CID 71653187) is N-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide is O=C1O[C@@H](CNS(=O)(=O)c2cccc3cccnc23)CN1c1ccc(N2CCSCC2)c(F)c1.
What is the InChIKey of N-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide?
The InChIKey is HPOVKRSJIDKCOJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23FN4O4S2/c24-19-13-17(6-7-20(19)27-9-11-33-12-10-27)28-15-18(32-23(28)29)14-26-34(30,31)21-5-1-3-16-4-2-8-25-22(16)21/h1-8,13,18,26H,9-12,14-15H2/t18-/m0/s1.
What are the key properties of N-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide?
N-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide has a molecular weight of 502.59 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 71653187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).