3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide

C17H14N6O2S — CID 24959532

IUPAC3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nccc(-n3ncc4ccccc43)n2)c1
InChIInChI=1S/C17H14N6O2S/c18-26(24,25)14-6-3-5-13(10-14)21-17-19-9-8-16(22-17)23-15-7-2-1-4-12(15)11-20-23/h1-11H,(H2,18,24,25)(H,19,21,22)
InChIKeyVLROOZRSNWRFKW-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.21
Rot. Bonds4

About 3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide

3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 24959532) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID24959532
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nccc(-n3ncc4ccccc43)n2)c1
InChIInChI=1S/C17H14N6O2S/c18-26(24,25)14-6-3-5-13(10-14)21-17-19-9-8-16(22-17)23-15-7-2-1-4-12(15)11-20-23/h1-11H,(H2,18,24,25)(H,19,21,22)
InChIKeyVLROOZRSNWRFKW-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide (CID 24959532) is 3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2nccc(-n3ncc4ccccc43)n2)c1.
What is the InChIKey of 3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is VLROOZRSNWRFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c18-26(24,25)14-6-3-5-13(10-14)21-17-19-9-8-16(22-17)23-15-7-2-1-4-12(15)11-20-23/h1-11H,(H2,18,24,25)(H,19,21,22).
What are the key properties of 3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
3-[(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 3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 24959532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).