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

C19H21FN2O7S — CID 40839214

IUPAC4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
SMILESCOc1cc(N2C[C@H](CNS(=O)(=O)c3ccc(F)cc3)OC2=O)cc(OC)c1OC
InChIInChI=1S/C19H21FN2O7S/c1-26-16-8-13(9-17(27-2)18(16)28-3)22-11-14(29-19(22)23)10-21-30(24,25)15-6-4-12(20)5-7-15/h4-9,14,21H,10-11H2,1-3H3/t14-/m0/s1
InChIKeyMWGOOQSRAWLMQE-AWEZNQCLSA-N
MW440.45 g/mol
LogP2.16
Rot. Bonds8

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

4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (PubChem CID 40839214) has the molecular formula C19H21FN2O7S and a molecular weight of 440.45 g/mol. Its IUPAC name is 4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
PubChem CID40839214
Molecular FormulaC19H21FN2O7S
Molecular Weight440.45 g/mol
Exact Mass440.11
IUPAC Name4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
SMILESCOc1cc(N2C[C@H](CNS(=O)(=O)c3ccc(F)cc3)OC2=O)cc(OC)c1OC
InChIInChI=1S/C19H21FN2O7S/c1-26-16-8-13(9-17(27-2)18(16)28-3)22-11-14(29-19(22)23)10-21-30(24,25)15-6-4-12(20)5-7-15/h4-9,14,21H,10-11H2,1-3H3/t14-/m0/s1
InChIKeyMWGOOQSRAWLMQE-AWEZNQCLSA-N
XLogP2.16
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 40839212
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 110328213
4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 16922728
5-[(dimethylsulfamoylamino)methyl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine
CID 16922442
4-fluoro-N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367600
4-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 16922365
3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110294186
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide
CID 110327987
4-ethoxy-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 110327854
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanesulfonamide
CID 16922720
1-(1,3-benzodioxol-5-yl)-3-[[2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]urea
CID 16923325
1-[(3,4-dimethoxyphenyl)methyl]-3-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]urea
CID 40839250

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (CID 40839214) is 4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide is COc1cc(N2C[C@H](CNS(=O)(=O)c3ccc(F)cc3)OC2=O)cc(OC)c1OC.
What is the InChIKey of 4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The InChIKey is MWGOOQSRAWLMQE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21FN2O7S/c1-26-16-8-13(9-17(27-2)18(16)28-3)22-11-14(29-19(22)23)10-21-30(24,25)15-6-4-12(20)5-7-15/h4-9,14,21H,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide has a molecular weight of 440.45 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(5R)-2-oxo-3-(3,4,5-trimethoxyphenyl)-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 40839214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).