4-amino-3-bromobenzenesulfonyl fluoride

C6H5BrFNO2S — CID 18930966

IUPAC4-amino-3-bromobenzenesulfonyl fluoride
SMILESNc1ccc(S(=O)(=O)F)cc1Br
InChIInChI=1S/C6H5BrFNO2S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3H,9H2
InChIKeyUZACAJVHSLWABY-UHFFFAOYSA-N
MW254.08 g/mol
LogP1.69
Rot. Bonds1

About 4-amino-3-bromobenzenesulfonyl fluoride

4-amino-3-bromobenzenesulfonyl fluoride (PubChem CID 18930966) has the molecular formula C6H5BrFNO2S and a molecular weight of 254.08 g/mol. Its IUPAC name is 4-amino-3-bromobenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-amino-3-bromobenzenesulfonyl fluoride
PubChem CID18930966
Molecular FormulaC6H5BrFNO2S
Molecular Weight254.08 g/mol
Exact Mass252.92
IUPAC Name4-amino-3-bromobenzenesulfonyl fluoride
SMILESNc1ccc(S(=O)(=O)F)cc1Br
InChIInChI=1S/C6H5BrFNO2S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3H,9H2
InChIKeyUZACAJVHSLWABY-UHFFFAOYSA-N
XLogP1.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 51.69
H-Bond Donors ≤ 51
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-bromobenzenesulfonyl fluoride?
The IUPAC name of 4-amino-3-bromobenzenesulfonyl fluoride (CID 18930966) is 4-amino-3-bromobenzenesulfonyl fluoride.
What is the SMILES notation for 4-amino-3-bromobenzenesulfonyl fluoride?
The canonical SMILES for 4-amino-3-bromobenzenesulfonyl fluoride is Nc1ccc(S(=O)(=O)F)cc1Br.
What is the InChIKey of 4-amino-3-bromobenzenesulfonyl fluoride?
The InChIKey is UZACAJVHSLWABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO2S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3H,9H2.
What are the key properties of 4-amino-3-bromobenzenesulfonyl fluoride?
4-amino-3-bromobenzenesulfonyl fluoride has a molecular weight of 254.08 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromobenzenesulfonyl fluoride is sourced from PubChem (CID 18930966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).