2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide

C13H11Br2NO3S — CID 82860132

IUPAC2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(Br)cc(NS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C13H11Br2NO3S/c1-19-11-7-9(14)6-10(8-11)16-20(17,18)13-5-3-2-4-12(13)15/h2-8,16H,1H3
InChIKeyWQENJCXOLPUSAB-UHFFFAOYSA-N
MW421.11 g/mol
LogP4.02
Rot. Bonds4

About 2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide

2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide (PubChem CID 82860132) has the molecular formula C13H11Br2NO3S and a molecular weight of 421.11 g/mol. Its IUPAC name is 2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
PubChem CID82860132
Molecular FormulaC13H11Br2NO3S
Molecular Weight421.11 g/mol
Exact Mass418.88
IUPAC Name2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(Br)cc(NS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C13H11Br2NO3S/c1-19-11-7-9(14)6-10(8-11)16-20(17,18)13-5-3-2-4-12(13)15/h2-8,16H,1H3
InChIKeyWQENJCXOLPUSAB-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.11
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide
CID 135348470
4-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbenzenesulfonamide
CID 82859346
4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 98000872
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82859753
2-amino-N-(3-bromo-5-methoxyphenyl)-6-fluorobenzenesulfonamide
CID 82859351
2-amino-N-(3-bromo-5-methoxyphenyl)-6-chlorobenzenesulfonamide
CID 82859345
N-(3-bromo-5-methoxyphenyl)-1-cyanomethanesulfonamide
CID 82867498
N-(3-bromo-5-methoxyphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106076709
6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide
CID 82858181
methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate
CID 25043144
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide (CID 82860132) is 2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide is COc1cc(Br)cc(NS(=O)(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide?
The InChIKey is WQENJCXOLPUSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO3S/c1-19-11-7-9(14)6-10(8-11)16-20(17,18)13-5-3-2-4-12(13)15/h2-8,16H,1H3.
What are the key properties of 2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide?
2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide has a molecular weight of 421.11 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 82860132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).