4-N-fluorobenzene-1,4-disulfonamide

C6H7FN2O4S2 — CID 175065506

IUPAC4-N-fluorobenzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)NF)cc1
InChIInChI=1S/C6H7FN2O4S2/c7-9-15(12,13)6-3-1-5(2-4-6)14(8,10)11/h1-4,9H,(H2,8,10,11)
InChIKeyVCSDUXYASIFBJY-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.50
Rot. Bonds3

About 4-N-fluorobenzene-1,4-disulfonamide

4-N-fluorobenzene-1,4-disulfonamide (PubChem CID 175065506) has the molecular formula C6H7FN2O4S2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-N-fluorobenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-fluorobenzene-1,4-disulfonamide
PubChem CID175065506
Molecular FormulaC6H7FN2O4S2
Molecular Weight254.26 g/mol
Exact Mass253.98
IUPAC Name4-N-fluorobenzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)NF)cc1
InChIInChI=1S/C6H7FN2O4S2/c7-9-15(12,13)6-3-1-5(2-4-6)14(8,10)11/h1-4,9H,(H2,8,10,11)
InChIKeyVCSDUXYASIFBJY-UHFFFAOYSA-N
XLogP-0.50
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
4-[4-[[[4-(4-sulfamoylphenyl)phenyl]sulfonylamino]oxysulfamoyl]phenyl]benzenesulfonamide
CID 174843361
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
CID 159358457
CID 159358457
4-aminobenzenesulfonamide;fluoroform
CID 121362415
4-N-(4,4,4-trifluorobutan-2-yl)benzene-1,4-disulfonamide
CID 104854834
(4-sulfamoylanilino)azanium chloride
CID 2736519
bis(4-methylbenzenesulfonamide);selane
CID 173300479
CID 6327779
CID 6327779
sodium;4-aminobenzenesulfonamide;hydride
CID 173094657
methane;4-methylbenzenesulfonamide
CID 66673954
4-N-(4-methylpentan-2-yl)benzene-1,4-disulfonamide
CID 43372522

Frequently Asked Questions

What is the IUPAC name of 4-N-fluorobenzene-1,4-disulfonamide?
The IUPAC name of 4-N-fluorobenzene-1,4-disulfonamide (CID 175065506) is 4-N-fluorobenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-fluorobenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-fluorobenzene-1,4-disulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)NF)cc1.
What is the InChIKey of 4-N-fluorobenzene-1,4-disulfonamide?
The InChIKey is VCSDUXYASIFBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O4S2/c7-9-15(12,13)6-3-1-5(2-4-6)14(8,10)11/h1-4,9H,(H2,8,10,11).
What are the key properties of 4-N-fluorobenzene-1,4-disulfonamide?
4-N-fluorobenzene-1,4-disulfonamide has a molecular weight of 254.26 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-fluorobenzene-1,4-disulfonamide is sourced from PubChem (CID 175065506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).