2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide

C15H16BrNO2S — CID 26952400

IUPAC2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H16BrNO2S/c1-3-12-8-6-7-11(2)15(12)17-20(18,19)14-10-5-4-9-13(14)16/h4-10,17H,3H2,1-2H3
InChIKeyXOGLVZYLAOYQFS-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.12
Rot. Bonds4

About 2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide

2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide (PubChem CID 26952400) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
PubChem CID26952400
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H16BrNO2S/c1-3-12-8-6-7-11(2)15(12)17-20(18,19)14-10-5-4-9-13(14)16/h4-10,17H,3H2,1-2H3
InChIKeyXOGLVZYLAOYQFS-UHFFFAOYSA-N
XLogP4.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
4-amino-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 43258104
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 121380359
1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 63665094
N-(2-ethyl-6-methylphenyl)-5-fluorothiophene-2-sulfonamide
CID 91969496
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 17257579
2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
CID 47310105
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997077
N-[(2-bromophenyl)methyl]-2,6-dimethylaniline
CID 55024912

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide (CID 26952400) is 2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide?
The InChIKey is XOGLVZYLAOYQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-3-12-8-6-7-11(2)15(12)17-20(18,19)14-10-5-4-9-13(14)16/h4-10,17H,3H2,1-2H3.
What are the key properties of 2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide?
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide has a molecular weight of 354.27 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 26952400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).