3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide

C15H13N5O2S — CID 14347156

IUPAC3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C15H13N5O2S/c16-23(21,22)13-5-1-4-12(9-13)19-15-18-8-6-14(20-15)11-3-2-7-17-10-11/h1-10H,(H2,16,21,22)(H,18,19,20)
InChIKeyUEUGMCJMIGAQCW-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.93
Rot. Bonds4

About 3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide

3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 14347156) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID14347156
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C15H13N5O2S/c16-23(21,22)13-5-1-4-12(9-13)19-15-18-8-6-14(20-15)11-3-2-7-17-10-11/h1-10H,(H2,16,21,22)(H,18,19,20)
InChIKeyUEUGMCJMIGAQCW-UHFFFAOYSA-N
XLogP1.93
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide 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

ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 25211077
3-[[4-(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 164606237
3-[[4-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-4-pyridinyl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 71458572
3-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 10475912
4-[[4-(3-pyridin-3-yl-2,1-benzoxazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 10366169
3-[[4-(5-amino-1H-benzimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide;ethane
CID 143712190
3-N-[4-(3-aminophenyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 11492825
3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 153326122
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoyl azide
CID 175373568
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride
CID 87660156

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide (CID 14347156) is 3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2nccc(-c3cccnc3)n2)c1.
What is the InChIKey of 3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is UEUGMCJMIGAQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c16-23(21,22)13-5-1-4-12(9-13)19-15-18-8-6-14(20-15)11-3-2-7-17-10-11/h1-10H,(H2,16,21,22)(H,18,19,20).
What are the key properties of 3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide?
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 327.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 14347156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).