N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide

C19H18ClF2N3O5S — CID 41140270

IUPACN'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C19H18ClF2N3O5S/c20-13-3-1-12(2-4-13)10-23-18(26)19(27)24-11-17-25(7-8-30-17)31(28,29)16-9-14(21)5-6-15(16)22/h1-6,9,17H,7-8,10-11H2,(H,23,26)(H,24,27)/t17-/m0/s1
InChIKeyQGYTWJWDOFPOHM-KRWDZBQOSA-N
MW473.89 g/mol
LogP1.40
Rot. Bonds6

About N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide

N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (PubChem CID 41140270) has the molecular formula C19H18ClF2N3O5S and a molecular weight of 473.89 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
PubChem CID41140270
Molecular FormulaC19H18ClF2N3O5S
Molecular Weight473.89 g/mol
Exact Mass473.06
IUPAC NameN'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C19H18ClF2N3O5S/c20-13-3-1-12(2-4-13)10-23-18(26)19(27)24-11-17-25(7-8-30-17)31(28,29)16-9-14(21)5-6-15(16)22/h1-6,9,17H,7-8,10-11H2,(H,23,26)(H,24,27)/t17-/m0/s1
InChIKeyQGYTWJWDOFPOHM-KRWDZBQOSA-N
XLogP1.40
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.89
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide (CID 41140270) is N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
The InChIKey is QGYTWJWDOFPOHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18ClF2N3O5S/c20-13-3-1-12(2-4-13)10-23-18(26)19(27)24-11-17-25(7-8-30-17)31(28,29)16-9-14(21)5-6-15(16)22/h1-6,9,17H,7-8,10-11H2,(H,23,26)(H,24,27)/t17-/m0/s1.
What are the key properties of N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide?
N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide has a molecular weight of 473.89 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(2,5-difluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 41140270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).