2-bromo-N-(2-ethylphenyl)benzenesulfonamide

C14H14BrNO2S — CID 26949668

IUPAC2-bromo-N-(2-ethylphenyl)benzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H14BrNO2S/c1-2-11-7-3-5-9-13(11)16-19(17,18)14-10-6-4-8-12(14)15/h3-10,16H,2H2,1H3
InChIKeyIDLLFQYMVDEPAQ-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.81
Rot. Bonds4

About 2-bromo-N-(2-ethylphenyl)benzenesulfonamide

2-bromo-N-(2-ethylphenyl)benzenesulfonamide (PubChem CID 26949668) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-bromo-N-(2-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethylphenyl)benzenesulfonamide
PubChem CID26949668
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name2-bromo-N-(2-ethylphenyl)benzenesulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H14BrNO2S/c1-2-11-7-3-5-9-13(11)16-19(17,18)14-10-6-4-8-12(14)15/h3-10,16H,2H2,1H3
InChIKeyIDLLFQYMVDEPAQ-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
CID 47310105
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
2-bromo-N-[2-(1-bromoethyl)phenyl]benzenesulfonamide
CID 114294156
3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968
N-(2-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144368
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
N-(2-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456850
2-methyl-N-(2-propylphenyl)benzenesulfonamide
CID 63000036
2-[(2-bromophenyl)sulfonylamino]benzamide
CID 17391161

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethylphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-ethylphenyl)benzenesulfonamide (CID 26949668) is 2-bromo-N-(2-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-ethylphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-ethylphenyl)benzenesulfonamide is CCc1ccccc1NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-ethylphenyl)benzenesulfonamide?
The InChIKey is IDLLFQYMVDEPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-2-11-7-3-5-9-13(11)16-19(17,18)14-10-6-4-8-12(14)15/h3-10,16H,2H2,1H3.
What are the key properties of 2-bromo-N-(2-ethylphenyl)benzenesulfonamide?
2-bromo-N-(2-ethylphenyl)benzenesulfonamide has a molecular weight of 340.24 g/mol, XLogP of 3.81, 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-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 26949668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).