2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide

C24H23Cl2F3N2O5S — CID 68545429

About 2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide

2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide (PubChem CID 68545429) has the molecular formula C24H23Cl2F3N2O5S and a molecular weight of 579.42 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide
• PubChem CID: 68545429
• Molecular Formula: C24H23Cl2F3N2O5S
• Molecular Weight: 579.42 g/mol
• Exact Mass: 578.07
• IUPAC Name: 2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide
• SMILES: COCCOc1ccc(CCCNS(=O)(=O)c2ccccc2Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c1
• InChI: InChI=1S/C24H23Cl2F3N2O5S/c1-34-11-12-35-18-9-8-16(5-4-10-31-37(32,33)22-7-3-2-6-19(22)25)21(14-18)36-23-20(26)13-17(15-30-23)24(27,28)29/h2-3,6-9,13-15,31H,4-5,10-12H2,1H3
• InChIKey: URRWDFQETHGNNP-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 86.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.42
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide?

The IUPAC name of 2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide (CID 68545429) is 2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide.

What is the SMILES notation for 2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide?

The canonical SMILES for 2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide is COCCOc1ccc(CCCNS(=O)(=O)c2ccccc2Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c1.

What is the InChIKey of 2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide?

The InChIKey is URRWDFQETHGNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2F3N2O5S/c1-34-11-12-35-18-9-8-16(5-4-10-31-37(32,33)22-7-3-2-6-19(22)25)21(14-18)36-23-20(26)13-17(15-30-23)24(27,28)29/h2-3,6-9,13-15,31H,4-5,10-12H2,1H3.

What are the key properties of 2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide?

2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide has a molecular weight of 579.42 g/mol, XLogP of 6.14, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl]benzenesulfonamide is sourced from PubChem (CID 68545429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).