2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide

C8H9BrClNO2S — CID 50876693

IUPAC2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Cl)c(C)cc1Br
InChIInChI=1S/C8H9BrClNO2S/c1-5-3-6(9)8(4-7(5)10)14(12,13)11-2/h3-4,11H,1-2H3
InChIKeyXRRKEKDHZGLLGH-UHFFFAOYSA-N
MW298.59 g/mol
LogP2.32
Rot. Bonds2

About 2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide

2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide (PubChem CID 50876693) has the molecular formula C8H9BrClNO2S and a molecular weight of 298.59 g/mol. Its IUPAC name is 2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide
PubChem CID50876693
Molecular FormulaC8H9BrClNO2S
Molecular Weight298.59 g/mol
Exact Mass296.92
IUPAC Name2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Cl)c(C)cc1Br
InChIInChI=1S/C8H9BrClNO2S/c1-5-3-6(9)8(4-7(5)10)14(12,13)11-2/h3-4,11H,1-2H3
InChIKeyXRRKEKDHZGLLGH-UHFFFAOYSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.59
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide (CID 50876693) is 2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(Cl)c(C)cc1Br.
What is the InChIKey of 2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide?
The InChIKey is XRRKEKDHZGLLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO2S/c1-5-3-6(9)8(4-7(5)10)14(12,13)11-2/h3-4,11H,1-2H3.
What are the key properties of 2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide?
2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide has a molecular weight of 298.59 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 50876693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).