N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl]methyl]-N'-methylmethanesulfonohydrazide

C24H24ClF3N4O3S — CID 124836760

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

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl]methyl]-N'-methylmethanesulfonohydrazide (PubChem CID 124836760) has the molecular formula C24H24ClF3N4O3S and a molecular weight of 541.00 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl]methyl]-N'-methylmethanesulfonohydrazide.

Molecular Properties

• Compound Name: N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl]methyl]-N'-methylmethanesulfonohydrazide
• PubChem CID: 124836760
• Molecular Formula: C24H24ClF3N4O3S
• Molecular Weight: 541.00 g/mol
• Exact Mass: 540.12
• IUPAC Name: N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl]methyl]-N'-methylmethanesulfonohydrazide
• SMILES: CN(c1ncc(C(F)(F)F)cc1Cl)N(C[C@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1)S(C)(=O)=O
• InChI: InChI=1S/C24H24ClF3N4O3S/c1-30(23-21(25)13-18(15-29-23)24(26,27)28)31(36(2,33)34)16-20-14-22(17-9-5-3-6-10-17)32(35-20)19-11-7-4-8-12-19/h3-13,15,20,22H,14,16H2,1-2H3/t20-,22+/m1/s1
• InChIKey: JAUANGNCLRWNDE-IRLDBZIGSA-N
• XLogP: 5.32
• TPSA: 65.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.00
LogP ≤ 5	5.32
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-[[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl]methyl]-N'-methylmethanesulfonohydrazide?

The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl]methyl]-N'-methylmethanesulfonohydrazide (CID 124836760) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl]methyl]-N'-methylmethanesulfonohydrazide.

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

The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl]methyl]-N'-methylmethanesulfonohydrazide is CN(c1ncc(C(F)(F)F)cc1Cl)N(C[C@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1)S(C)(=O)=O.

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

The InChIKey is JAUANGNCLRWNDE-IRLDBZIGSA-N. The full InChI is InChI=1S/C24H24ClF3N4O3S/c1-30(23-21(25)13-18(15-29-23)24(26,27)28)31(36(2,33)34)16-20-14-22(17-9-5-3-6-10-17)32(35-20)19-11-7-4-8-12-19/h3-13,15,20,22H,14,16H2,1-2H3/t20-,22+/m1/s1.

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

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl]methyl]-N'-methylmethanesulfonohydrazide has a molecular weight of 541.00 g/mol, XLogP of 5.32, 7 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-[[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl]methyl]-N'-methylmethanesulfonohydrazide is sourced from PubChem (CID 124836760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).