4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide

C17H14N6O2S — CID 70691237

IUPAC4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-n3ncc4ccccc43)n2)cc1
InChIInChI=1S/C17H14N6O2S/c18-26(24,25)14-7-5-13(6-8-14)21-17-19-10-9-16(22-17)23-15-4-2-1-3-12(15)11-20-23/h1-11H,(H2,18,24,25)(H,19,21,22)
InChIKeyMGYDUQVCVWCQMO-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.21
Rot. Bonds4

About 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide

4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 70691237) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID70691237
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-n3ncc4ccccc43)n2)cc1
InChIInChI=1S/C17H14N6O2S/c18-26(24,25)14-7-5-13(6-8-14)21-17-19-10-9-16(22-17)23-15-4-2-1-3-12(15)11-20-23/h1-11H,(H2,18,24,25)(H,19,21,22)
InChIKeyMGYDUQVCVWCQMO-UHFFFAOYSA-N
XLogP2.21
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(4-indazol-1-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide (CID 70691237) is 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nccc(-n3ncc4ccccc43)n2)cc1.
What is the InChIKey of 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is MGYDUQVCVWCQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c18-26(24,25)14-7-5-13(6-8-14)21-17-19-10-9-16(22-17)23-15-4-2-1-3-12(15)11-20-23/h1-11H,(H2,18,24,25)(H,19,21,22).
What are the key properties of 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 70691237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).