2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide

C19H13F2N3O6S2 — CID 57396410

IUPAC2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)c1cccc(C(=O)NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C19H13F2N3O6S2/c20-12-4-8-14(9-5-12)31(27,28)23-18(25)16-2-1-3-17(22-16)19(26)24-32(29,30)15-10-6-13(21)7-11-15/h1-11H,(H,23,25)(H,24,26)
InChIKeyLEHUSUMDRPMKOB-UHFFFAOYSA-N
MW481.46 g/mol
LogP1.60
Rot. Bonds6

About 2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide (PubChem CID 57396410) has the molecular formula C19H13F2N3O6S2 and a molecular weight of 481.46 g/mol. Its IUPAC name is 2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide
PubChem CID57396410
Molecular FormulaC19H13F2N3O6S2
Molecular Weight481.46 g/mol
Exact Mass481.02
IUPAC Name2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)c1cccc(C(=O)NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C19H13F2N3O6S2/c20-12-4-8-14(9-5-12)31(27,28)23-18(25)16-2-1-3-17(22-16)19(26)24-32(29,30)15-10-6-13(21)7-11-15/h1-11H,(H,23,25)(H,24,26)
InChIKeyLEHUSUMDRPMKOB-UHFFFAOYSA-N
XLogP1.60
TPSA139.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 51.60
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-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide (CID 57396410) is 2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide is O=C(NS(=O)(=O)c1ccc(F)cc1)c1cccc(C(=O)NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide?
The InChIKey is LEHUSUMDRPMKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O6S2/c20-12-4-8-14(9-5-12)31(27,28)23-18(25)16-2-1-3-17(22-16)19(26)24-32(29,30)15-10-6-13(21)7-11-15/h1-11H,(H,23,25)(H,24,26).
What are the key properties of 2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[(4-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide has a molecular weight of 481.46 g/mol, XLogP of 1.60, 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-fluorophenyl)sulfonyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 57396410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).