4-amino-3,5-difluorobenzenesulfonamide

C6H6F2N2O2S — CID 155934233

IUPAC4-amino-3,5-difluorobenzenesulfonamide
SMILESNc1c(F)cc(S(N)(=O)=O)cc1F
InChIInChI=1S/C6H6F2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
InChIKeyDIZHXFXCIIAOSN-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.19
Rot. Bonds1

About 4-amino-3,5-difluorobenzenesulfonamide

4-amino-3,5-difluorobenzenesulfonamide (PubChem CID 155934233) has the molecular formula C6H6F2N2O2S and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-amino-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3,5-difluorobenzenesulfonamide
PubChem CID155934233
Molecular FormulaC6H6F2N2O2S
Molecular Weight208.19 g/mol
Exact Mass208.01
IUPAC Name4-amino-3,5-difluorobenzenesulfonamide
SMILESNc1c(F)cc(S(N)(=O)=O)cc1F
InChIInChI=1S/C6H6F2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
InChIKeyDIZHXFXCIIAOSN-UHFFFAOYSA-N
XLogP0.19
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.19
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-3,5-difluorobenzenesulfonamide?
The IUPAC name of 4-amino-3,5-difluorobenzenesulfonamide (CID 155934233) is 4-amino-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-3,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-amino-3,5-difluorobenzenesulfonamide is Nc1c(F)cc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-amino-3,5-difluorobenzenesulfonamide?
The InChIKey is DIZHXFXCIIAOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12).
What are the key properties of 4-amino-3,5-difluorobenzenesulfonamide?
4-amino-3,5-difluorobenzenesulfonamide has a molecular weight of 208.19 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 155934233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).