2-amino-3,5-dibromobenzenesulfonyl fluoride

C6H4Br2FNO2S — CID 13218904

IUPAC2-amino-3,5-dibromobenzenesulfonyl fluoride
SMILESNc1c(Br)cc(Br)cc1S(=O)(=O)F
InChIInChI=1S/C6H4Br2FNO2S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2H,10H2
InChIKeyGKVJIDHCVWOQKV-UHFFFAOYSA-N
MW332.98 g/mol
LogP2.45
Rot. Bonds1

About 2-amino-3,5-dibromobenzenesulfonyl fluoride

2-amino-3,5-dibromobenzenesulfonyl fluoride (PubChem CID 13218904) has the molecular formula C6H4Br2FNO2S and a molecular weight of 332.98 g/mol. Its IUPAC name is 2-amino-3,5-dibromobenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-amino-3,5-dibromobenzenesulfonyl fluoride
PubChem CID13218904
Molecular FormulaC6H4Br2FNO2S
Molecular Weight332.98 g/mol
Exact Mass330.83
IUPAC Name2-amino-3,5-dibromobenzenesulfonyl fluoride
SMILESNc1c(Br)cc(Br)cc1S(=O)(=O)F
InChIInChI=1S/C6H4Br2FNO2S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2H,10H2
InChIKeyGKVJIDHCVWOQKV-UHFFFAOYSA-N
XLogP2.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.98
LogP ≤ 52.45
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 2-amino-3,5-dibromobenzenesulfonyl fluoride?
The IUPAC name of 2-amino-3,5-dibromobenzenesulfonyl fluoride (CID 13218904) is 2-amino-3,5-dibromobenzenesulfonyl fluoride.
What is the SMILES notation for 2-amino-3,5-dibromobenzenesulfonyl fluoride?
The canonical SMILES for 2-amino-3,5-dibromobenzenesulfonyl fluoride is Nc1c(Br)cc(Br)cc1S(=O)(=O)F.
What is the InChIKey of 2-amino-3,5-dibromobenzenesulfonyl fluoride?
The InChIKey is GKVJIDHCVWOQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2FNO2S/c7-3-1-4(8)6(10)5(2-3)13(9,11)12/h1-2H,10H2.
What are the key properties of 2-amino-3,5-dibromobenzenesulfonyl fluoride?
2-amino-3,5-dibromobenzenesulfonyl fluoride has a molecular weight of 332.98 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dibromobenzenesulfonyl fluoride is sourced from PubChem (CID 13218904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).