2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide

C21H19N3O6S2 — CID 57401640

IUPAC2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cccc(C(=O)NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H19N3O6S2/c1-14-6-10-16(11-7-14)31(27,28)23-20(25)18-4-3-5-19(22-18)21(26)24-32(29,30)17-12-8-15(2)9-13-17/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKeyBBYSLDLSLKRDFY-UHFFFAOYSA-N
MW473.53 g/mol
LogP1.94
Rot. Bonds6

About 2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide

2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide (PubChem CID 57401640) has the molecular formula C21H19N3O6S2 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide
PubChem CID57401640
Molecular FormulaC21H19N3O6S2
Molecular Weight473.53 g/mol
Exact Mass473.07
IUPAC Name2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cccc(C(=O)NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H19N3O6S2/c1-14-6-10-16(11-7-14)31(27,28)23-20(25)18-4-3-5-19(22-18)21(26)24-32(29,30)17-12-8-15(2)9-13-17/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKeyBBYSLDLSLKRDFY-UHFFFAOYSA-N
XLogP1.94
TPSA139.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide (CID 57401640) is 2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2cccc(C(=O)NS(=O)(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide?
The InChIKey is BBYSLDLSLKRDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S2/c1-14-6-10-16(11-7-14)31(27,28)23-20(25)18-4-3-5-19(22-18)21(26)24-32(29,30)17-12-8-15(2)9-13-17/h3-13H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide?
2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide has a molecular weight of 473.53 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis-(4-methylphenyl)sulfonylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 57401640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).