3-bromo-5-chlorobenzenesulfonamide

C6H5BrClNO2S — CID 119084222

IUPAC3-bromo-5-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C6H5BrClNO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyJGIJYZFOWSNYFA-UHFFFAOYSA-N
MW270.54 g/mol
LogP1.75
Rot. Bonds1

About 3-bromo-5-chlorobenzenesulfonamide

3-bromo-5-chlorobenzenesulfonamide (PubChem CID 119084222) has the molecular formula C6H5BrClNO2S and a molecular weight of 270.54 g/mol. Its IUPAC name is 3-bromo-5-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chlorobenzenesulfonamide
PubChem CID119084222
Molecular FormulaC6H5BrClNO2S
Molecular Weight270.54 g/mol
Exact Mass268.89
IUPAC Name3-bromo-5-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C6H5BrClNO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyJGIJYZFOWSNYFA-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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Related Compounds

4-Bromo-2-chlorobenzenesulfonamide
CID 2734764
4-Bromo-3-chlorobenzene-1-sulfonamide
CID 46738065
2-Bromo-4-chloro-6-fluorobenzenesulfonamide
CID 50998088
5-Bromo-2-chlorobenzenesulfonamide
CID 50998109
3-Bromo-5-chlorobenzene-1-thiol
CID 51000077
3-Bromo-5-chlorobenzene-1-sulfonyl chloride
CID 51000078
2-Bromo-3-chlorobenzenesulfonamide
CID 86767842
3-Bromo-5-chloro-2-fluorobenzene-1-sulfonyl chloride
CID 149699841
3-Bromo-5-chloro-2-fluorobenzene-1-sulfonyl fluoride
CID 165947107
4-Bromo-5-chloro-2-fluorobenzenesulfonamide
CID 50998118
5-Bromo-4-chloro-2-fluorobenzenesulfonamide
CID 124252340
2-Bromo-4-chloro-5-fluorobenzenesulfonamide
CID 40427489

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chlorobenzenesulfonamide?
The IUPAC name of 3-bromo-5-chlorobenzenesulfonamide (CID 119084222) is 3-bromo-5-chlorobenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chlorobenzenesulfonamide?
The canonical SMILES for 3-bromo-5-chlorobenzenesulfonamide is NS(=O)(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chlorobenzenesulfonamide?
The InChIKey is JGIJYZFOWSNYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of 3-bromo-5-chlorobenzenesulfonamide?
3-bromo-5-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 3-bromo-5-chlorobenzenesulfonamide is sourced from PubChem (CID 119084222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).