N-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide

C17H13N3O3S — CID 14925427

IUPACN-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C17H13N3O3S/c21-17(20-24(22,23)14-6-2-1-3-7-14)13-9-10-16(19-12-13)15-8-4-5-11-18-15/h1-12H,(H,20,21)
InChIKeyNWPZFVPRMXCHOG-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.26
Rot. Bonds4

About N-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide

N-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 14925427) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide
PubChem CID14925427
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC NameN-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C17H13N3O3S/c21-17(20-24(22,23)14-6-2-1-3-7-14)13-9-10-16(19-12-13)15-8-4-5-11-18-15/h1-12H,(H,20,21)
InChIKeyNWPZFVPRMXCHOG-UHFFFAOYSA-N
XLogP2.26
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide (CID 14925427) is N-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1ccc(-c2ccccn2)nc1.
What is the InChIKey of N-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is NWPZFVPRMXCHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-17(20-24(22,23)14-6-2-1-3-7-14)13-9-10-16(19-12-13)15-8-4-5-11-18-15/h1-12H,(H,20,21).
What are the key properties of N-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide?
N-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 339.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-6-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 14925427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).