N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C26H22ClFN4O4S — CID 121250799

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121250799) has the molecular formula C26H22ClFN4O4S and a molecular weight of 541.00 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 121250799
• Molecular Formula: C26H22ClFN4O4S
• Molecular Weight: 541.00 g/mol
• Exact Mass: 540.10
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(Oc2nc(-c3ccc(Cl)cc3F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
• InChI: InChI=1S/C26H22ClFN4O4S/c1-14-11-15(2)24(16(3)12-14)36-26-19(9-10-21(30-26)18-8-7-17(27)13-20(18)28)25(33)32-37(34,35)23-6-4-5-22(29)31-23/h4-13H,1-3H3,(H2,29,31)(H,32,33)
• InChIKey: DUOCEXQQADLACJ-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 124.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.00
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121250799) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3ccc(Cl)cc3F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The InChIKey is DUOCEXQQADLACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O4S/c1-14-11-15(2)24(16(3)12-14)36-26-19(9-10-21(30-26)18-8-7-17(27)13-20(18)28)25(33)32-37(34,35)23-6-4-5-22(29)31-23/h4-13H,1-3H3,(H2,29,31)(H,32,33).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 541.00 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121250799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).