4-(N-fluoroanilino)benzenesulfonamide

C12H11FN2O2S — CID 174932224

IUPAC4-(N-fluoroanilino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N(F)c2ccccc2)cc1
InChIInChI=1S/C12H11FN2O2S/c13-15(10-4-2-1-3-5-10)11-6-8-12(9-7-11)18(14,16)17/h1-9H,(H2,14,16,17)
InChIKeyGVXNJWGCJCFKAB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.36
Rot. Bonds3

About 4-(N-fluoroanilino)benzenesulfonamide

4-(N-fluoroanilino)benzenesulfonamide (PubChem CID 174932224) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(N-fluoroanilino)benzenesulfonamide.

Molecular Properties

Compound Name4-(N-fluoroanilino)benzenesulfonamide
PubChem CID174932224
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name4-(N-fluoroanilino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N(F)c2ccccc2)cc1
InChIInChI=1S/C12H11FN2O2S/c13-15(10-4-2-1-3-5-10)11-6-8-12(9-7-11)18(14,16)17/h1-9H,(H2,14,16,17)
InChIKeyGVXNJWGCJCFKAB-UHFFFAOYSA-N
XLogP2.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4-(N-(4-sulfamoylphenyl)anilino)benzoic acid
CID 174477700
4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 25041425
disodium;benzenesulfonamide;hydride
CID 174402178
benzenesulfonamide;methanol
CID 23223292
benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride)
CID 174977525
benzenesulfonamide;boric acid
CID 160795607
benzenesulfonamide;2-methylpropane
CID 157350693
N'-methyl-N'-phenyl-N-(4-sulfamoylphenyl)oxamide
CID 108508706
4-benzoylbenzenesulfonamide
CID 70209200
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid
CID 162013282

Frequently Asked Questions

What is the IUPAC name of 4-(N-fluoroanilino)benzenesulfonamide?
The IUPAC name of 4-(N-fluoroanilino)benzenesulfonamide (CID 174932224) is 4-(N-fluoroanilino)benzenesulfonamide.
What is the SMILES notation for 4-(N-fluoroanilino)benzenesulfonamide?
The canonical SMILES for 4-(N-fluoroanilino)benzenesulfonamide is NS(=O)(=O)c1ccc(N(F)c2ccccc2)cc1.
What is the InChIKey of 4-(N-fluoroanilino)benzenesulfonamide?
The InChIKey is GVXNJWGCJCFKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-15(10-4-2-1-3-5-10)11-6-8-12(9-7-11)18(14,16)17/h1-9H,(H2,14,16,17).
What are the key properties of 4-(N-fluoroanilino)benzenesulfonamide?
4-(N-fluoroanilino)benzenesulfonamide has a molecular weight of 266.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-fluoroanilino)benzenesulfonamide is sourced from PubChem (CID 174932224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).