4-bromo-2-ethyl-N-methylbenzenesulfonamide

C9H12BrNO2S — CID 67059569

IUPAC4-bromo-2-ethyl-N-methylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NC
InChIInChI=1S/C9H12BrNO2S/c1-3-7-6-8(10)4-5-9(7)14(12,13)11-2/h4-6,11H,3H2,1-2H3
InChIKeyXLMBSTQQXWCVER-UHFFFAOYSA-N
MW278.17 g/mol
LogP1.92
Rot. Bonds3

About 4-bromo-2-ethyl-N-methylbenzenesulfonamide

4-bromo-2-ethyl-N-methylbenzenesulfonamide (PubChem CID 67059569) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-methylbenzenesulfonamide
PubChem CID67059569
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC Name4-bromo-2-ethyl-N-methylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NC
InChIInChI=1S/C9H12BrNO2S/c1-3-7-6-8(10)4-5-9(7)14(12,13)11-2/h4-6,11H,3H2,1-2H3
InChIKeyXLMBSTQQXWCVER-UHFFFAOYSA-N
XLogP1.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-methyl-2-(2-oxopropyl)benzenesulfonamide
CID 58436455
2-ethyl-N-methyl-4-nitrobenzenesulfonamide
CID 158476793
4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide
CID 3369335
4-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylbenzenesulfonamide
CID 6735647
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
5-bromo-2-hydroxy-N-methylbenzenesulfonamide
CID 169108659
4-bromo-N-(3,3-diphenylpropyl)-2-ethylbenzenesulfonamide
CID 3869524
4-bromo-N-(2-butan-2-ylphenyl)-2-ethylbenzenesulfonamide
CID 3822768
4-bromo-N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-ethylbenzenesulfonamide
CID 3771585
4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 25041295
N-(1,3-benzodioxol-5-ylmethyl)-4-bromo-2-ethylbenzenesulfonamide
CID 5011448
4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide
CID 3814344

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-ethyl-N-methylbenzenesulfonamide (CID 67059569) is 4-bromo-2-ethyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-ethyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-ethyl-N-methylbenzenesulfonamide is CCc1cc(Br)ccc1S(=O)(=O)NC.
What is the InChIKey of 4-bromo-2-ethyl-N-methylbenzenesulfonamide?
The InChIKey is XLMBSTQQXWCVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-3-7-6-8(10)4-5-9(7)14(12,13)11-2/h4-6,11H,3H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-N-methylbenzenesulfonamide?
4-bromo-2-ethyl-N-methylbenzenesulfonamide has a molecular weight of 278.17 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 67059569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).