N-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide

C12H9FN2O5S — CID 31578775

IUPACN-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1O
InChIInChI=1S/C12H9FN2O5S/c13-8-1-3-9(4-2-8)14-21(19,20)10-5-6-12(16)11(7-10)15(17)18/h1-7,14,16H
InChIKeyIJGIWLFSEFPENL-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.24
Rot. Bonds4

About N-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide

N-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide (PubChem CID 31578775) has the molecular formula C12H9FN2O5S and a molecular weight of 312.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide
PubChem CID31578775
Molecular FormulaC12H9FN2O5S
Molecular Weight312.28 g/mol
Exact Mass312.02
IUPAC NameN-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1O
InChIInChI=1S/C12H9FN2O5S/c13-8-1-3-9(4-2-8)14-21(19,20)10-5-6-12(16)11(7-10)15(17)18/h1-7,14,16H
InChIKeyIJGIWLFSEFPENL-UHFFFAOYSA-N
XLogP2.24
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
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'}

Analyze N-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide (CID 31578775) is N-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1O.
What is the InChIKey of N-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide?
The InChIKey is IJGIWLFSEFPENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O5S/c13-8-1-3-9(4-2-8)14-21(19,20)10-5-6-12(16)11(7-10)15(17)18/h1-7,14,16H.
What are the key properties of N-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide?
N-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide has a molecular weight of 312.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 31578775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).