4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide

C13H11FN2O5S — CID 2866046

IUPAC4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O5S/c1-21-13-8-10(16(17)18)4-7-12(13)15-22(19,20)11-5-2-9(14)3-6-11/h2-8,15H,1H3
InChIKeyAOBNVMGREXGLPU-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.54
Rot. Bonds5

About 4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide

4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide (PubChem CID 2866046) has the molecular formula C13H11FN2O5S and a molecular weight of 326.31 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide
PubChem CID2866046
Molecular FormulaC13H11FN2O5S
Molecular Weight326.31 g/mol
Exact Mass326.04
IUPAC Name4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O5S/c1-21-13-8-10(16(17)18)4-7-12(13)15-22(19,20)11-5-2-9(14)3-6-11/h2-8,15H,1H3
InChIKeyAOBNVMGREXGLPU-UHFFFAOYSA-N
XLogP2.54
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide (CID 2866046) is 4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide is COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide?
The InChIKey is AOBNVMGREXGLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O5S/c1-21-13-8-10(16(17)18)4-7-12(13)15-22(19,20)11-5-2-9(14)3-6-11/h2-8,15H,1H3.
What are the key properties of 4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide?
4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide has a molecular weight of 326.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 2866046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).