N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide

C24H26Cl2FN3O4S — CID 118353802

About N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide

N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide (PubChem CID 118353802) has the molecular formula C24H26Cl2FN3O4S and a molecular weight of 542.46 g/mol. Its IUPAC name is N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide.

Molecular Properties

• Compound Name: N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide
• PubChem CID: 118353802
• Molecular Formula: C24H26Cl2FN3O4S
• Molecular Weight: 542.46 g/mol
• Exact Mass: 541.10
• IUPAC Name: N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide
• SMILES: O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC2CCCN(c3cc(Cl)cc(Cl)c3)C2)cc1F
• InChI: InChI=1S/C24H26Cl2FN3O4S/c25-16-9-17(26)11-18(10-16)29-6-1-3-19(14-29)34-23-13-22(27)21(12-20(23)15-4-5-15)24(31)28-35(32,33)30-7-2-8-30/h9-13,15,19H,1-8,14H2,(H,28,31)
• InChIKey: IYBJMZJVXZATTH-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.46
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide?

The IUPAC name of N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide (CID 118353802) is N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide.

What is the SMILES notation for N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide?

The canonical SMILES for N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide is O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC2CCCN(c3cc(Cl)cc(Cl)c3)C2)cc1F.

What is the InChIKey of N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide?

The InChIKey is IYBJMZJVXZATTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2FN3O4S/c25-16-9-17(26)11-18(10-16)29-6-1-3-19(14-29)34-23-13-22(27)21(12-20(23)15-4-5-15)24(31)28-35(32,33)30-7-2-8-30/h9-13,15,19H,1-8,14H2,(H,28,31).

What are the key properties of N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide?

N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide has a molecular weight of 542.46 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide is sourced from PubChem (CID 118353802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).