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

C21H24FN3O5S — CID 51356801

IUPACN-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1
InChIInChI=1S/C21H24FN3O5S/c1-15-2-5-18(6-3-15)31(27,28)23-13-17-14-25(21(26)30-17)16-4-7-20(19(22)12-16)24-8-10-29-11-9-24/h2-7,12,17,23H,8-11,13-14H2,1H3/t17-/m0/s1
InChIKeyLBULDKYYFALJJD-KRWDZBQOSA-N
MW449.50 g/mol
LogP2.27
Rot. Bonds6

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

N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 51356801) has the molecular formula C21H24FN3O5S and a molecular weight of 449.50 g/mol. Its IUPAC name is N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID51356801
Molecular FormulaC21H24FN3O5S
Molecular Weight449.50 g/mol
Exact Mass449.14
IUPAC NameN-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1
InChIInChI=1S/C21H24FN3O5S/c1-15-2-5-18(6-3-15)31(27,28)23-13-17-14-25(21(26)30-17)16-4-7-20(19(22)12-16)24-8-10-29-11-9-24/h2-7,12,17,23H,8-11,13-14H2,1H3/t17-/m0/s1
InChIKeyLBULDKYYFALJJD-KRWDZBQOSA-N
XLogP2.27
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.27
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]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzenesulfonamide (CID 51356801) is N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1.
What is the InChIKey of N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is LBULDKYYFALJJD-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24FN3O5S/c1-15-2-5-18(6-3-15)31(27,28)23-13-17-14-25(21(26)30-17)16-4-7-20(19(22)12-16)24-8-10-29-11-9-24/h2-7,12,17,23H,8-11,13-14H2,1H3/t17-/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]-4-methylbenzenesulfonamide?
N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 449.50 g/mol, XLogP of 2.27, 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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 51356801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).