3-N,5-N-bis(benzenesulfonyl)pyridine-3,5-dicarboxamide

C19H15N3O6S2 — CID 57403365

IUPAC3-N,5-N-bis(benzenesulfonyl)pyridine-3,5-dicarboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cncc(C(=O)NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H15N3O6S2/c23-18(21-29(25,26)16-7-3-1-4-8-16)14-11-15(13-20-12-14)19(24)22-30(27,28)17-9-5-2-6-10-17/h1-13H,(H,21,23)(H,22,24)
InChIKeySGWVWSAHSLDLIL-UHFFFAOYSA-N
MW445.48 g/mol
LogP1.32
Rot. Bonds6

About 3-N,5-N-bis(benzenesulfonyl)pyridine-3,5-dicarboxamide

3-N,5-N-bis(benzenesulfonyl)pyridine-3,5-dicarboxamide (PubChem CID 57403365) has the molecular formula C19H15N3O6S2 and a molecular weight of 445.48 g/mol. Its IUPAC name is 3-N,5-N-bis(benzenesulfonyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(benzenesulfonyl)pyridine-3,5-dicarboxamide
PubChem CID57403365
Molecular FormulaC19H15N3O6S2
Molecular Weight445.48 g/mol
Exact Mass445.04
IUPAC Name3-N,5-N-bis(benzenesulfonyl)pyridine-3,5-dicarboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cncc(C(=O)NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H15N3O6S2/c23-18(21-29(25,26)16-7-3-1-4-8-16)14-11-15(13-20-12-14)19(24)22-30(27,28)17-9-5-2-6-10-17/h1-13H,(H,21,23)(H,22,24)
InChIKeySGWVWSAHSLDLIL-UHFFFAOYSA-N
XLogP1.32
TPSA139.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 51.32
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(benzenesulfonyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(benzenesulfonyl)pyridine-3,5-dicarboxamide (CID 57403365) is 3-N,5-N-bis(benzenesulfonyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(benzenesulfonyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(benzenesulfonyl)pyridine-3,5-dicarboxamide is O=C(NS(=O)(=O)c1ccccc1)c1cncc(C(=O)NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-N,5-N-bis(benzenesulfonyl)pyridine-3,5-dicarboxamide?
The InChIKey is SGWVWSAHSLDLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O6S2/c23-18(21-29(25,26)16-7-3-1-4-8-16)14-11-15(13-20-12-14)19(24)22-30(27,28)17-9-5-2-6-10-17/h1-13H,(H,21,23)(H,22,24).
What are the key properties of 3-N,5-N-bis(benzenesulfonyl)pyridine-3,5-dicarboxamide?
3-N,5-N-bis(benzenesulfonyl)pyridine-3,5-dicarboxamide has a molecular weight of 445.48 g/mol, XLogP of 1.32, 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(benzenesulfonyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 57403365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).