formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol

C18H20N4O5S — CID 143738633

IUPACformic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol
SMILESO=CO.O=S(=O)(c1ccccc1O)n1ncc2ccc(N3CCNCC3)cc21
InChIInChI=1S/C17H18N4O3S.CH2O2/c22-16-3-1-2-4-17(16)25(23,24)21-15-11-14(6-5-13(15)12-19-21)20-9-7-18-8-10-20;2-1-3/h1-6,11-12,18,22H,7-10H2;1H,(H,2,3)
InChIKeyJFQYHLQLGVAGTA-UHFFFAOYSA-N
MW404.45 g/mol
LogP1.09
Rot. Bonds3

About formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol

formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol (PubChem CID 143738633) has the molecular formula C18H20N4O5S and a molecular weight of 404.45 g/mol. Its IUPAC name is formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol.

Molecular Properties

Compound Nameformic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol
PubChem CID143738633
Molecular FormulaC18H20N4O5S
Molecular Weight404.45 g/mol
Exact Mass404.12
IUPAC Nameformic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol
SMILESO=CO.O=S(=O)(c1ccccc1O)n1ncc2ccc(N3CCNCC3)cc21
InChIInChI=1S/C17H18N4O3S.CH2O2/c22-16-3-1-2-4-17(16)25(23,24)21-15-11-14(6-5-13(15)12-19-21)20-9-7-18-8-10-20;2-1-3/h1-6,11-12,18,22H,7-10H2;1H,(H,2,3)
InChIKeyJFQYHLQLGVAGTA-UHFFFAOYSA-N
XLogP1.09
TPSA124.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol?
The IUPAC name of formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol (CID 143738633) is formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol.
What is the SMILES notation for formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol?
The canonical SMILES for formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol is O=CO.O=S(=O)(c1ccccc1O)n1ncc2ccc(N3CCNCC3)cc21.
What is the InChIKey of formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol?
The InChIKey is JFQYHLQLGVAGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S.CH2O2/c22-16-3-1-2-4-17(16)25(23,24)21-15-11-14(6-5-13(15)12-19-21)20-9-7-18-8-10-20;2-1-3/h1-6,11-12,18,22H,7-10H2;1H,(H,2,3).
What are the key properties of formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol?
formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol has a molecular weight of 404.45 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol is sourced from PubChem (CID 143738633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).