4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

C23H17Cl2F3N4O4S — CID 126760895

About 4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 126760895) has the molecular formula C23H17Cl2F3N4O4S and a molecular weight of 573.38 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 126760895
• Molecular Formula: C23H17Cl2F3N4O4S
• Molecular Weight: 573.38 g/mol
• Exact Mass: 572.03
• IUPAC Name: 4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
• SMILES: COCN(c1cc(Cl)cnc1C(=O)c1cccc2c1cnn2C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
• InChI: InChI=1S/C23H17Cl2F3N4O4S/c1-31-19-5-3-4-15(16(19)11-30-31)22(33)21-20(8-13(24)10-29-21)32(12-36-2)37(34,35)14-6-7-18(25)17(9-14)23(26,27)28/h3-11H,12H2,1-2H3
• InChIKey: BSGOWRJWSJPTML-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 94.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.38
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of 4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 126760895) is 4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is COCN(c1cc(Cl)cnc1C(=O)c1cccc2c1cnn2C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.

What is the InChIKey of 4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is BSGOWRJWSJPTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F3N4O4S/c1-31-19-5-3-4-15(16(19)11-30-31)22(33)21-20(8-13(24)10-29-21)32(12-36-2)37(34,35)14-6-7-18(25)17(9-14)23(26,27)28/h3-11H,12H2,1-2H3.

What are the key properties of 4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?

4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 573.38 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-chloro-2-(1-methylindazole-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 126760895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).