N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide

C18H16N4O4S — CID 70683277

IUPACN-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccn3)nc2)cc1
InChIInChI=1S/C18H16N4O4S/c19-27(24,25)16-7-4-13(5-8-16)18(23)22-14-6-9-17(21-11-14)26-12-15-3-1-2-10-20-15/h1-11H,12H2,(H,22,23)(H2,19,24,25)
InChIKeySIAAUHFZDMYAFY-UHFFFAOYSA-N
MW384.42 g/mol
LogP1.96
Rot. Bonds6

About N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide

N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide (PubChem CID 70683277) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide
PubChem CID70683277
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC NameN-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccn3)nc2)cc1
InChIInChI=1S/C18H16N4O4S/c19-27(24,25)16-7-4-13(5-8-16)18(23)22-14-6-9-17(21-11-14)26-12-15-3-1-2-10-20-15/h1-11H,12H2,(H,22,23)(H2,19,24,25)
InChIKeySIAAUHFZDMYAFY-UHFFFAOYSA-N
XLogP1.96
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide (CID 70683277) is N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3ccccn3)nc2)cc1.
What is the InChIKey of N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide?
The InChIKey is SIAAUHFZDMYAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c19-27(24,25)16-7-4-13(5-8-16)18(23)22-14-6-9-17(21-11-14)26-12-15-3-1-2-10-20-15/h1-11H,12H2,(H,22,23)(H2,19,24,25).
What are the key properties of N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide?
N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide has a molecular weight of 384.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 70683277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).