2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide

C15H15Br2NO3S — CID 5181856

IUPAC2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1CCNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H15Br2NO3S/c1-21-14-7-6-12(16)10-11(14)8-9-18-22(19,20)15-5-3-2-4-13(15)17/h2-7,10,18H,8-9H2,1H3
InChIKeyNQLJNNTUKDIVQY-UHFFFAOYSA-N
MW449.16 g/mol
LogP3.74
Rot. Bonds6

About 2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide

2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 5181856) has the molecular formula C15H15Br2NO3S and a molecular weight of 449.16 g/mol. Its IUPAC name is 2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID5181856
Molecular FormulaC15H15Br2NO3S
Molecular Weight449.16 g/mol
Exact Mass446.91
IUPAC Name2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1CCNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H15Br2NO3S/c1-21-14-7-6-12(16)10-11(14)8-9-18-22(19,20)15-5-3-2-4-13(15)17/h2-7,10,18H,8-9H2,1H3
InChIKeyNQLJNNTUKDIVQY-UHFFFAOYSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 9301756
2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3482971
N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 86984270
5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 25048330
2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300997
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113237489
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylsulfonylaniline
CID 43724648
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55907776
5-bromo-2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 103744455
5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 3746979

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide (CID 5181856) is 2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(Br)cc1CCNS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is NQLJNNTUKDIVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO3S/c1-21-14-7-6-12(16)10-11(14)8-9-18-22(19,20)15-5-3-2-4-13(15)17/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide?
2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 449.16 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 5181856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).