N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide

C₂₆H₂₅F₄N₃O₅S — CID 162659023

About N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide

N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 162659023) has the molecular formula C₂₆H₂₅F₄N₃O₅S and a molecular weight of 567.56 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide
• PubChem CID: 162659023
• Molecular Formula: C₂₆H₂₅F₄N₃O₅S
• Molecular Weight: 567.56 g/mol
• Exact Mass: 567.15
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide
• SMILES: COc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C26H25F4N3O5S/c1-37-22-8-5-20(25(34)32-10-12-38-13-11-32)14-23(22)39(35,36)33(16-18-2-6-21(27)7-3-18)17-19-4-9-24(31-15-19)26(28,29)30/h2-9,14-15H,10-13,16-17H2,1H3
• InChIKey: SUHRXQSVQYMYSM-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 89.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.56
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide (CID 162659023) is N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide is COc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N(Cc1ccc(F)cc1)Cc1ccc(C(F)(F)F)nc1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide?

The InChIKey is SUHRXQSVQYMYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N3O5S/c1-37-22-8-5-20(25(34)32-10-12-38-13-11-32)14-23(22)39(35,36)33(16-18-2-6-21(27)7-3-18)17-19-4-9-24(31-15-19)26(28,29)30/h2-9,14-15H,10-13,16-17H2,1H3.

What are the key properties of N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide?

N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 567.56 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-methoxy-5-(morpholine-4-carbonyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 162659023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162659023 — identifiers, structure, computed properties (public domain)

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