5-bromo-N,2-dimethylbenzenesulfonamide

C8H10BrNO2S — CID 8777805

IUPAC5-bromo-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Br)ccc1C
InChIInChI=1S/C8H10BrNO2S/c1-6-3-4-7(9)5-8(6)13(11,12)10-2/h3-5,10H,1-2H3
InChIKeySGSUJQYIGUWVGW-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.67
Rot. Bonds2

About 5-bromo-N,2-dimethylbenzenesulfonamide

5-bromo-N,2-dimethylbenzenesulfonamide (PubChem CID 8777805) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 5-bromo-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N,2-dimethylbenzenesulfonamide
PubChem CID8777805
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name5-bromo-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Br)ccc1C
InChIInChI=1S/C8H10BrNO2S/c1-6-3-4-7(9)5-8(6)13(11,12)10-2/h3-5,10H,1-2H3
InChIKeySGSUJQYIGUWVGW-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-bromo-N,2-dimethylbenzenesulfonamide (CID 8777805) is 5-bromo-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-N,2-dimethylbenzenesulfonamide?
The InChIKey is SGSUJQYIGUWVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-6-3-4-7(9)5-8(6)13(11,12)10-2/h3-5,10H,1-2H3.
What are the key properties of 5-bromo-N,2-dimethylbenzenesulfonamide?
5-bromo-N,2-dimethylbenzenesulfonamide has a molecular weight of 264.14 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 8777805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).