3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide

C21H19N3O6S2 — CID 57396409

IUPAC3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cncc(C(=O)NS(=O)(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C21H19N3O6S2/c1-14-3-7-18(8-4-14)31(27,28)23-20(25)16-11-17(13-22-12-16)21(26)24-32(29,30)19-9-5-15(2)6-10-19/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKeyMZLSZDVGCWNHOG-UHFFFAOYSA-N
MW473.53 g/mol
LogP1.94
Rot. Bonds6

About 3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide

3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide (PubChem CID 57396409) has the molecular formula C21H19N3O6S2 and a molecular weight of 473.53 g/mol. Its IUPAC name is 3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide
PubChem CID57396409
Molecular FormulaC21H19N3O6S2
Molecular Weight473.53 g/mol
Exact Mass473.07
IUPAC Name3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cncc(C(=O)NS(=O)(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C21H19N3O6S2/c1-14-3-7-18(8-4-14)31(27,28)23-20(25)16-11-17(13-22-12-16)21(26)24-32(29,30)19-9-5-15(2)6-10-19/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKeyMZLSZDVGCWNHOG-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 3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide (CID 57396409) is 3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2cncc(C(=O)NS(=O)(=O)c3ccc(C)cc3)c2)cc1.
What is the InChIKey of 3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide?
The InChIKey is MZLSZDVGCWNHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S2/c1-14-3-7-18(8-4-14)31(27,28)23-20(25)16-11-17(13-22-12-16)21(26)24-32(29,30)19-9-5-15(2)6-10-19/h3-13H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide?
3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-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 3-N,5-N-bis-(4-methylphenyl)sulfonylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 57396409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).