5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide

C6H5BrClFN2O2S — CID 170964189

IUPAC5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide
SMILESNNS(=O)(=O)c1cc(Br)c(Cl)cc1F
InChIInChI=1S/C6H5BrClFN2O2S/c7-3-1-6(14(12,13)11-10)5(9)2-4(3)8/h1-2,11H,10H2
InChIKeyILIFBNBCESZMAY-UHFFFAOYSA-N
MW303.54 g/mol
LogP1.39
Rot. Bonds2

About 5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide

5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide (PubChem CID 170964189) has the molecular formula C6H5BrClFN2O2S and a molecular weight of 303.54 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide.

Molecular Properties

Compound Name5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide
PubChem CID170964189
Molecular FormulaC6H5BrClFN2O2S
Molecular Weight303.54 g/mol
Exact Mass301.89
IUPAC Name5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide
SMILESNNS(=O)(=O)c1cc(Br)c(Cl)cc1F
InChIInChI=1S/C6H5BrClFN2O2S/c7-3-1-6(14(12,13)11-10)5(9)2-4(3)8/h1-2,11H,10H2
InChIKeyILIFBNBCESZMAY-UHFFFAOYSA-N
XLogP1.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide?
The IUPAC name of 5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide (CID 170964189) is 5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide.
What is the SMILES notation for 5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide?
The canonical SMILES for 5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide is NNS(=O)(=O)c1cc(Br)c(Cl)cc1F.
What is the InChIKey of 5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide?
The InChIKey is ILIFBNBCESZMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClFN2O2S/c7-3-1-6(14(12,13)11-10)5(9)2-4(3)8/h1-2,11H,10H2.
What are the key properties of 5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide?
5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide has a molecular weight of 303.54 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-fluorobenzenesulfonohydrazide is sourced from PubChem (CID 170964189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).