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

C20H20ClF2N3O5S — CID 71652733

IUPAC3-chloro-4-fluoro-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(Cl)c2)CN1c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H20ClF2N3O5S/c21-16-10-15(2-3-17(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
InChIKeyYQVRGKCJHNPCML-AWEZNQCLSA-N
MW487.91 g/mol
LogP2.76
Rot. Bonds6

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

3-chloro-4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (PubChem CID 71652733) has the molecular formula C20H20ClF2N3O5S and a molecular weight of 487.91 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
PubChem CID71652733
Molecular FormulaC20H20ClF2N3O5S
Molecular Weight487.91 g/mol
Exact Mass487.08
IUPAC Name3-chloro-4-fluoro-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(Cl)c2)CN1c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H20ClF2N3O5S/c21-16-10-15(2-3-17(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
InChIKeyYQVRGKCJHNPCML-AWEZNQCLSA-N
XLogP2.76
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.91
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 78138838
4-(benzenesulfonyl)-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
CID 71652888
N-[5-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 71652735
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
2-amino-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10338067
2-bromo-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58901427
[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 4-methylbenzenesulfonate
CID 66553602
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-dimethylpropanamide
CID 10156575
sodium;bis(N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide);methanol;methanolate;sulfane;hydrate
CID 161348705
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 91473746
N-[[3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 126496005
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-[(1,2-oxazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
CID 22014514

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (CID 71652733) is 3-chloro-4-fluoro-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-chloro-4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-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(Cl)c2)CN1c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The InChIKey is YQVRGKCJHNPCML-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20ClF2N3O5S/c21-16-10-15(2-3-17(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-chloro-4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide has a molecular weight of 487.91 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 71652733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).