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

C13H13N3O3S — CID 10266279

IUPACN-(pyridin-4-ylmethyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C13H13N3O3S/c14-20(18,19)12-3-1-11(2-4-12)13(17)16-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)(H2,14,18,19)
InChIKeyQMUBQBSQTFTUFB-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.66
Rot. Bonds4

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

N-(pyridin-4-ylmethyl)-4-sulfamoylbenzamide (PubChem CID 10266279) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-4-sulfamoylbenzamide
PubChem CID10266279
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-(pyridin-4-ylmethyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C13H13N3O3S/c14-20(18,19)12-3-1-11(2-4-12)13(17)16-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)(H2,14,18,19)
InChIKeyQMUBQBSQTFTUFB-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

Analyze N-(pyridin-4-ylmethyl)-4-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
Stf-31
CID 984333
N-Methyl-2-sulfamoylpyridine-3-carboxamide
CID 21645260
N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide
CID 155144635
4-Acetyl-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 746813
2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
CID 935612
Tubulin inhibitor 11
CID 139369407
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
N'-isonicotinoylbenzenesulfonohydrazide
CID 468603
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192
N-((4-Methyl-3-pyridyl)methyl)-benzamide
CID 52096

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-4-sulfamoylbenzamide (CID 10266279) is N-(pyridin-4-ylmethyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCc2ccncc2)cc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-4-sulfamoylbenzamide?
The InChIKey is QMUBQBSQTFTUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-20(18,19)12-3-1-11(2-4-12)13(17)16-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)(H2,14,18,19).
What are the key properties of N-(pyridin-4-ylmethyl)-4-sulfamoylbenzamide?
N-(pyridin-4-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-4-ylmethyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 10266279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).