2-bromo-N-methylbenzenesulfonamide

C7H8BrNO2S — CID 850141

IUPAC2-bromo-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C7H8BrNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKeyHSCKMNXETNFFAJ-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.36
Rot. Bonds2

About 2-bromo-N-methylbenzenesulfonamide

2-bromo-N-methylbenzenesulfonamide (PubChem CID 850141) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is 2-bromo-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-methylbenzenesulfonamide
PubChem CID850141
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Name2-bromo-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C7H8BrNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKeyHSCKMNXETNFFAJ-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 102675926
N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
CID 10553370
2-tert-butyl-N-methylbenzenesulfonamide
CID 118909876
2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78910879
2-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 162420977
2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25043542
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
CID 3263186
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
2-bromo-3-chloro-N-methylbenzenesulfonamide
CID 130173119
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
CID 115365251

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-methylbenzenesulfonamide (CID 850141) is 2-bromo-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-methylbenzenesulfonamide?
The InChIKey is HSCKMNXETNFFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3.
What are the key properties of 2-bromo-N-methylbenzenesulfonamide?
2-bromo-N-methylbenzenesulfonamide has a molecular weight of 250.12 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methylbenzenesulfonamide is sourced from PubChem (CID 850141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).