4-amino-3-fluorobenzenesulfonamide

C6H7FN2O2S — CID 4687472

IUPAC4-amino-3-fluorobenzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C6H7FN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
InChIKeyHVFBADWBKHAPKV-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.06
Rot. Bonds1

About 4-amino-3-fluorobenzenesulfonamide

4-amino-3-fluorobenzenesulfonamide (PubChem CID 4687472) has the molecular formula C6H7FN2O2S and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-amino-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluorobenzenesulfonamide
PubChem CID4687472
Molecular FormulaC6H7FN2O2S
Molecular Weight190.20 g/mol
Exact Mass190.02
IUPAC Name4-amino-3-fluorobenzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C6H7FN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
InChIKeyHVFBADWBKHAPKV-UHFFFAOYSA-N
XLogP0.06
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-3-fluorobenzenesulfonamide (CID 4687472) is 4-amino-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-3-fluorobenzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-amino-3-fluorobenzenesulfonamide?
The InChIKey is HVFBADWBKHAPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11).
What are the key properties of 4-amino-3-fluorobenzenesulfonamide?
4-amino-3-fluorobenzenesulfonamide has a molecular weight of 190.20 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluorobenzenesulfonamide is sourced from PubChem (CID 4687472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).