2-bromo-4-chlorobenzenesulfonamide

C6H5BrClNO2S — CID 79018093

IUPAC2-bromo-4-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C6H5BrClNO2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyDGRGJJSXZBOHIS-UHFFFAOYSA-N
MW270.54 g/mol
LogP1.75
Rot. Bonds1

About 2-bromo-4-chlorobenzenesulfonamide

2-bromo-4-chlorobenzenesulfonamide (PubChem CID 79018093) has the molecular formula C6H5BrClNO2S and a molecular weight of 270.54 g/mol. Its IUPAC name is 2-bromo-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-chlorobenzenesulfonamide
PubChem CID79018093
Molecular FormulaC6H5BrClNO2S
Molecular Weight270.54 g/mol
Exact Mass268.89
IUPAC Name2-bromo-4-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C6H5BrClNO2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyDGRGJJSXZBOHIS-UHFFFAOYSA-N
XLogP1.75
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.54
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chlorobenzenesulfonamide?
The IUPAC name of 2-bromo-4-chlorobenzenesulfonamide (CID 79018093) is 2-bromo-4-chlorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-4-chlorobenzenesulfonamide?
The canonical SMILES for 2-bromo-4-chlorobenzenesulfonamide is NS(=O)(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chlorobenzenesulfonamide?
The InChIKey is DGRGJJSXZBOHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNO2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of 2-bromo-4-chlorobenzenesulfonamide?
2-bromo-4-chlorobenzenesulfonamide has a molecular weight of 270.54 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chlorobenzenesulfonamide is sourced from PubChem (CID 79018093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).