N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide

C19H19ClFN3O5S — CID 42399449

IUPACN'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19ClFN3O5S/c20-16-4-2-1-3-13(16)11-22-18(25)19(26)23-12-17-24(9-10-29-17)30(27,28)15-7-5-14(21)6-8-15/h1-8,17H,9-12H2,(H,22,25)(H,23,26)/t17-/m1/s1
InChIKeyOSZSXTPPTPLMKQ-QGZVFWFLSA-N
MW455.90 g/mol
LogP1.26
Rot. Bonds6

About N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide

N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (PubChem CID 42399449) has the molecular formula C19H19ClFN3O5S and a molecular weight of 455.90 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
PubChem CID42399449
Molecular FormulaC19H19ClFN3O5S
Molecular Weight455.90 g/mol
Exact Mass455.07
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19ClFN3O5S/c20-16-4-2-1-3-13(16)11-22-18(25)19(26)23-12-17-24(9-10-29-17)30(27,28)15-7-5-14(21)6-8-15/h1-8,17H,9-12H2,(H,22,25)(H,23,26)/t17-/m1/s1
InChIKeyOSZSXTPPTPLMKQ-QGZVFWFLSA-N
XLogP1.26
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.90
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 42399537
N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 42399569
N-[[(2S)-3-(benzenesulfonyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 41140136
N'-[(2-chlorophenyl)methyl]-N-[[(2S)-3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41140352
N'-[(2-chlorophenyl)methyl]-N-[[3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 18561444
N'-[(4-fluorophenyl)methyl]-N-[[(2S)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 42399546
N-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 40785468
N'-[(4-chlorophenyl)methyl]-N-[[3-(4-fluorophenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 18561582
N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41140325
N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41140326
N'-(1,3-benzodioxol-5-ylmethyl)-N-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41140132
N'-[(4-fluorophenyl)methyl]-N-[[3-(4-nitrophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 18561403

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (CID 42399449) is N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The InChIKey is OSZSXTPPTPLMKQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19ClFN3O5S/c20-16-4-2-1-3-13(16)11-22-18(25)19(26)23-12-17-24(9-10-29-17)30(27,28)15-7-5-14(21)6-8-15/h1-8,17H,9-12H2,(H,22,25)(H,23,26)/t17-/m1/s1.
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide has a molecular weight of 455.90 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N-[[(2R)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 42399449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).