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

C20H22FN3O5S — CID 51356534

IUPACN-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
SMILESO=C1O[C@@H](CNS(=O)(=O)c2ccccc2)CN1c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H22FN3O5S/c21-18-12-15(6-7-19(18)23-8-10-28-11-9-23)24-14-16(29-20(24)25)13-22-30(26,27)17-4-2-1-3-5-17/h1-7,12,16,22H,8-11,13-14H2/t16-/m0/s1
InChIKeyCNKRTOHHZCCRRC-INIZCTEOSA-N
MW435.48 g/mol
LogP1.97
Rot. Bonds6

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

N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (PubChem CID 51356534) has the molecular formula C20H22FN3O5S and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
PubChem CID51356534
Molecular FormulaC20H22FN3O5S
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC NameN-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
SMILESO=C1O[C@@H](CNS(=O)(=O)c2ccccc2)CN1c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H22FN3O5S/c21-18-12-15(6-7-19(18)23-8-10-28-11-9-23)24-14-16(29-20(24)25)13-22-30(26,27)17-4-2-1-3-5-17/h1-7,12,16,22H,8-11,13-14H2/t16-/m0/s1
InChIKeyCNKRTOHHZCCRRC-INIZCTEOSA-N
XLogP1.97
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.97
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 N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (CID 51356534) is N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 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)c2ccccc2)CN1c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The InChIKey is CNKRTOHHZCCRRC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22FN3O5S/c21-18-12-15(6-7-19(18)23-8-10-28-11-9-23)24-14-16(29-20(24)25)13-22-30(26,27)17-4-2-1-3-5-17/h1-7,12,16,22H,8-11,13-14H2/t16-/m0/s1.
What are the key properties of N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide has a molecular weight of 435.48 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 51356534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).