N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide

C19H22ClF3N4O3S — CID 1476502

About N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide (PubChem CID 1476502) has the molecular formula C19H22ClF3N4O3S and a molecular weight of 478.92 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide.

Molecular Properties

• Compound Name: N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide
• PubChem CID: 1476502
• Molecular Formula: C19H22ClF3N4O3S
• Molecular Weight: 478.92 g/mol
• Exact Mass: 478.11
• IUPAC Name: N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide
• SMILES: CN1O[C@@H](CN(N(C)c2ncc(C(F)(F)F)cc2Cl)S(C)(=O)=O)C[C@@H]1c1ccccc1
• InChI: InChI=1S/C19H22ClF3N4O3S/c1-25(18-16(20)9-14(11-24-18)19(21,22)23)27(31(3,28)29)12-15-10-17(26(2)30-15)13-7-5-4-6-8-13/h4-9,11,15,17H,10,12H2,1-3H3/t15-,17-/m1/s1
• InChIKey: ZFOKARMHCKTADK-NVXWUHKLSA-N
• XLogP: 3.74
• TPSA: 65.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.92
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide?

The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide (CID 1476502) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide.

What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide?

The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide is CN1O[C@@H](CN(N(C)c2ncc(C(F)(F)F)cc2Cl)S(C)(=O)=O)C[C@@H]1c1ccccc1.

What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide?

The InChIKey is ZFOKARMHCKTADK-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H22ClF3N4O3S/c1-25(18-16(20)9-14(11-24-18)19(21,22)23)27(31(3,28)29)12-15-10-17(26(2)30-15)13-7-5-4-6-8-13/h4-9,11,15,17H,10,12H2,1-3H3/t15-,17-/m1/s1.

What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide?

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide has a molecular weight of 478.92 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-methyl-N-[[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methyl]methanesulfonohydrazide is sourced from PubChem (CID 1476502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).