4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide

C19H13FN2O6S — CID 152771425

IUPAC4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H13FN2O6S/c20-15-7-5-13(6-8-15)12-1-3-14(4-2-12)19(24)21-29(27,28)16-9-10-18(23)17(11-16)22(25)26/h1-11,23H,(H,21,24)
InChIKeyVVRUAHGKSQMVOB-UHFFFAOYSA-N
MW416.39 g/mol
LogP3.23
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide

4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide (PubChem CID 152771425) has the molecular formula C19H13FN2O6S and a molecular weight of 416.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide
PubChem CID152771425
Molecular FormulaC19H13FN2O6S
Molecular Weight416.39 g/mol
Exact Mass416.05
IUPAC Name4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H13FN2O6S/c20-15-7-5-13(6-8-15)12-1-3-14(4-2-12)19(24)21-29(27,28)16-9-10-18(23)17(11-16)22(25)26/h1-11,23H,(H,21,24)
InChIKeyVVRUAHGKSQMVOB-UHFFFAOYSA-N
XLogP3.23
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

CID 137661914
CID 137661914
2-(4-Hydroxy-3-nitro-benzenesulfonylamino)-benzoic acid
CID 3768669
4-(4-fluorophenyl)-N-[4-(3-hydroxypropoxy)-3-nitrophenyl]sulfonylbenzamide
CID 22730001
4-(4-fluorophenyl)-N-[4-(2-hydroxyethoxy)-3-nitrophenyl]sulfonylbenzamide
CID 22730886
1-fluoro-N-(4-hydroxy-3-nitrophenyl)sulfonyl-4-phenylcyclohexa-2,4-diene-1-carboxamide
CID 152771426
N-[2-(4-fluorophenyl)ethyl]-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide
CID 16960874
N-(3-fluoro-4-methylphenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide
CID 16961069
N-ethyl-N-[(3-fluorophenyl)methyl]-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide
CID 16961080
N-[2-(3-fluorophenyl)ethyl]-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide
CID 16961087
N-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide
CID 29371337
2-fluoro-N'-(4-hydroxy-3-nitrophenyl)sulfonylbenzohydrazide
CID 31579182
N-(4-fluorophenyl)-2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide
CID 40030135

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide (CID 152771425) is 4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide?
The InChIKey is VVRUAHGKSQMVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O6S/c20-15-7-5-13(6-8-15)12-1-3-14(4-2-12)19(24)21-29(27,28)16-9-10-18(23)17(11-16)22(25)26/h1-11,23H,(H,21,24).
What are the key properties of 4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide?
4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide has a molecular weight of 416.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(4-hydroxy-3-nitrophenyl)sulfonylbenzamide is sourced from PubChem (CID 152771425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).