N-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide

C13H13N3O3S — CID 10334453

IUPACN-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C13H13N3O3S/c14-20(18,19)12-6-4-10(5-7-12)13(17)16-9-11-3-1-2-8-15-11/h1-8H,9H2,(H,16,17)(H2,14,18,19)
InChIKeyVELIRWMFNGCVBK-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.66
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide

N-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide (PubChem CID 10334453) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide
PubChem CID10334453
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C13H13N3O3S/c14-20(18,19)12-6-4-10(5-7-12)13(17)16-9-11-3-1-2-8-15-11/h1-8H,9H2,(H,16,17)(H2,14,18,19)
InChIKeyVELIRWMFNGCVBK-UHFFFAOYSA-N
XLogP0.66
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide (CID 10334453) is N-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCc2ccccn2)cc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide?
The InChIKey is VELIRWMFNGCVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-20(18,19)12-6-4-10(5-7-12)13(17)16-9-11-3-1-2-8-15-11/h1-8H,9H2,(H,16,17)(H2,14,18,19).
What are the key properties of N-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide?
N-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide has a molecular weight of 291.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 10334453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).