3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide

C20H20F3N3O5S — CID 71653043

IUPAC3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
SMILESO=C1O[C@@H](CNS(=O)(=O)c2ccc(F)c(F)c2)CN1c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H20F3N3O5S/c21-16-3-2-15(10-17(16)22)32(28,29)24-11-14-12-26(20(27)31-14)13-1-4-19(18(23)9-13)25-5-7-30-8-6-25/h1-4,9-10,14,24H,5-8,11-12H2/t14-/m0/s1
InChIKeyZIAXKVCNOOOXBY-AWEZNQCLSA-N
MW471.46 g/mol
LogP2.24
Rot. Bonds6

About 3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide

3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (PubChem CID 71653043) has the molecular formula C20H20F3N3O5S and a molecular weight of 471.46 g/mol. Its IUPAC name is 3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
PubChem CID71653043
Molecular FormulaC20H20F3N3O5S
Molecular Weight471.46 g/mol
Exact Mass471.11
IUPAC Name3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
SMILESO=C1O[C@@H](CNS(=O)(=O)c2ccc(F)c(F)c2)CN1c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H20F3N3O5S/c21-16-3-2-15(10-17(16)22)32(28,29)24-11-14-12-26(20(27)31-14)13-1-4-19(18(23)9-13)25-5-7-30-8-6-25/h1-4,9-10,14,24H,5-8,11-12H2/t14-/m0/s1
InChIKeyZIAXKVCNOOOXBY-AWEZNQCLSA-N
XLogP2.24
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (CID 71653043) is 3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide is O=C1O[C@@H](CNS(=O)(=O)c2ccc(F)c(F)c2)CN1c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The InChIKey is ZIAXKVCNOOOXBY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20F3N3O5S/c21-16-3-2-15(10-17(16)22)32(28,29)24-11-14-12-26(20(27)31-14)13-1-4-19(18(23)9-13)25-5-7-30-8-6-25/h1-4,9-10,14,24H,5-8,11-12H2/t14-/m0/s1.
What are the key properties of 3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide has a molecular weight of 471.46 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 71653043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).