4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide

C12H9FN2O5S — CID 28513917

IUPAC4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2O)ccc1F
InChIInChI=1S/C12H9FN2O5S/c13-9-6-5-8(7-11(9)15(17)18)21(19,20)14-10-3-1-2-4-12(10)16/h1-7,14,16H
InChIKeyRTKCCCYHZAAILV-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.24
Rot. Bonds4

About 4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide

4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide (PubChem CID 28513917) has the molecular formula C12H9FN2O5S and a molecular weight of 312.28 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide
PubChem CID28513917
Molecular FormulaC12H9FN2O5S
Molecular Weight312.28 g/mol
Exact Mass312.02
IUPAC Name4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2O)ccc1F
InChIInChI=1S/C12H9FN2O5S/c13-9-6-5-8(7-11(9)15(17)18)21(19,20)14-10-3-1-2-4-12(10)16/h1-7,14,16H
InChIKeyRTKCCCYHZAAILV-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': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide (CID 28513917) is 4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2O)ccc1F.
What is the InChIKey of 4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide?
The InChIKey is RTKCCCYHZAAILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O5S/c13-9-6-5-8(7-11(9)15(17)18)21(19,20)14-10-3-1-2-4-12(10)16/h1-7,14,16H.
What are the key properties of 4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide?
4-fluoro-N-(2-hydroxyphenyl)-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 4-fluoro-N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 28513917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).