N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide

C26H18BrCl2FN2O4S — CID 11498213

About N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide

N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 11498213) has the molecular formula C26H18BrCl2FN2O4S and a molecular weight of 624.32 g/mol. Its IUPAC name is N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide
• PubChem CID: 11498213
• Molecular Formula: C26H18BrCl2FN2O4S
• Molecular Weight: 624.32 g/mol
• Exact Mass: 621.95
• IUPAC Name: N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide
• SMILES: O=C(NS(=O)(=O)c1cccc(Br)c1)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
• InChI: InChI=1S/C26H18BrCl2FN2O4S/c27-18-3-1-5-22(13-18)37(34,35)32-26(33)24-6-2-4-21(31-24)12-17-11-19(28)9-10-25(17)36-15-16-7-8-20(29)14-23(16)30/h1-11,13-14H,12,15H2,(H,32,33)
• InChIKey: LJGXIZGGUGEQAO-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 85.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.32
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide?

The IUPAC name of N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide (CID 11498213) is N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide?

The canonical SMILES for N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide is O=C(NS(=O)(=O)c1cccc(Br)c1)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1.

What is the InChIKey of N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide?

The InChIKey is LJGXIZGGUGEQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18BrCl2FN2O4S/c27-18-3-1-5-22(13-18)37(34,35)32-26(33)24-6-2-4-21(31-24)12-17-11-19(28)9-10-25(17)36-15-16-7-8-20(29)14-23(16)30/h1-11,13-14H,12,15H2,(H,32,33).

What are the key properties of N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide?

N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 624.32 g/mol, XLogP of 6.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 11498213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).