4-(4-nitrophenyl)sulfonylphenol

C12H9NO5S — CID 3636916

IUPAC4-(4-nitrophenyl)sulfonylphenol
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C12H9NO5S/c14-10-3-7-12(8-4-10)19(17,18)11-5-1-9(2-6-11)13(15)16/h1-8,14H
InChIKeyYVIUQWFRFDREAN-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.13
Rot. Bonds3

About 4-(4-nitrophenyl)sulfonylphenol

4-(4-nitrophenyl)sulfonylphenol (PubChem CID 3636916) has the molecular formula C12H9NO5S and a molecular weight of 279.27 g/mol. Its IUPAC name is 4-(4-nitrophenyl)sulfonylphenol.

Molecular Properties

Compound Name4-(4-nitrophenyl)sulfonylphenol
PubChem CID3636916
Molecular FormulaC12H9NO5S
Molecular Weight279.27 g/mol
Exact Mass279.02
IUPAC Name4-(4-nitrophenyl)sulfonylphenol
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C12H9NO5S/c14-10-3-7-12(8-4-10)19(17,18)11-5-1-9(2-6-11)13(15)16/h1-8,14H
InChIKeyYVIUQWFRFDREAN-UHFFFAOYSA-N
XLogP2.13
TPSA97.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-((4-Aminophenyl)sulfonyl)phenol
CID 117686
Phenyl 3-nitrobenzenesulfonate
CID 95207
Benzenesulfonic acid 4-nitro-phenyl ester
CID 347803
Phenyl o-nitrobenzenesulphonate
CID 98543
4-(4-Hydroxy-3-nitro-phenyl)sulfonyl-2-nitro-phenol
CID 237347
N-(4-Hydroxyphenyl)-4-nitrobenzenesulfinamide
CID 720767
4-(Methylsulphonyl)-2-nitrophenol
CID 73941
2-Nitro-5-(phenylsulfonyl)phenol
CID 2799682
Benzene, 1-[(4-methoxyphenyl)sulfonyl]-2-nitro-
CID 361292
4-(2-Nitrophenyl)sulfanylphenol
CID 21430272
2-(4-Nitrophenyl)sulfanylbenzene-1,4-diol
CID 125483637
Sodium 2-nitro-4-(3-nitro-4-oxidophenyl)sulfonylphenolate
CID 15944832

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)sulfonylphenol?
The IUPAC name of 4-(4-nitrophenyl)sulfonylphenol (CID 3636916) is 4-(4-nitrophenyl)sulfonylphenol.
What is the SMILES notation for 4-(4-nitrophenyl)sulfonylphenol?
The canonical SMILES for 4-(4-nitrophenyl)sulfonylphenol is O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-nitrophenyl)sulfonylphenol?
The InChIKey is YVIUQWFRFDREAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO5S/c14-10-3-7-12(8-4-10)19(17,18)11-5-1-9(2-6-11)13(15)16/h1-8,14H.
What are the key properties of 4-(4-nitrophenyl)sulfonylphenol?
4-(4-nitrophenyl)sulfonylphenol has a molecular weight of 279.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)sulfonylphenol is sourced from PubChem (CID 3636916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).