4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol

C12H8N2O8S — CID 19786005

IUPAC4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1S(=O)(=O)c1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C12H8N2O8S/c15-7-1-3-11(9(5-7)13(17)18)23(21,22)12-4-2-8(16)6-10(12)14(19)20/h1-6,15-16H
InChIKeyCYZDDZGKHJEKCB-UHFFFAOYSA-N
MW340.27 g/mol
LogP1.75
Rot. Bonds4

About 4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol

4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol (PubChem CID 19786005) has the molecular formula C12H8N2O8S and a molecular weight of 340.27 g/mol. Its IUPAC name is 4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol.

Molecular Properties

Compound Name4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol
PubChem CID19786005
Molecular FormulaC12H8N2O8S
Molecular Weight340.27 g/mol
Exact Mass340.00
IUPAC Name4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1S(=O)(=O)c1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C12H8N2O8S/c15-7-1-3-11(9(5-7)13(17)18)23(21,22)12-4-2-8(16)6-10(12)14(19)20/h1-6,15-16H
InChIKeyCYZDDZGKHJEKCB-UHFFFAOYSA-N
XLogP1.75
TPSA160.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-hydroxy-2-nitrophenyl)propan-2-yl]-3-nitrophenol
CID 3092239
4-hydroxy-2-nitrophenolate
CID 36690956
4-methyl-3-nitrophenol
CID 16271
2,4-dinitro-1-(4-nitrophenyl)sulfonylbenzene
CID 611987
4-nitro-3-sulfanylphenol
CID 91873870
(5-hydroxy-2-nitrophenyl)mercury
CID 67545657
4-hydroxy-2-nitrobenzenediazonium
CID 56925690
4-(methylamino)-3-nitrophenol
CID 22832045
4-(2-carboxylatophenyl)sulfonyl-3-nitrobenzoate
CID 3308291
1-(2,4-dinitrophenyl)sulfonyl-2,4-dinitrobenzene;1-phenylethanone
CID 87931041
3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
CID 101301765
4-(1-hydroxyethyl)-3-nitrophenol
CID 143117945

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol?
The IUPAC name of 4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol (CID 19786005) is 4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol.
What is the SMILES notation for 4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol?
The canonical SMILES for 4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol is O=[N+]([O-])c1cc(O)ccc1S(=O)(=O)c1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol?
The InChIKey is CYZDDZGKHJEKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O8S/c15-7-1-3-11(9(5-7)13(17)18)23(21,22)12-4-2-8(16)6-10(12)14(19)20/h1-6,15-16H.
What are the key properties of 4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol?
4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol has a molecular weight of 340.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-nitrophenyl)sulfonyl-3-nitrophenol is sourced from PubChem (CID 19786005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).