2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide

C12H8Br3NO3S — CID 81241100

IUPAC2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(Br)cc(Br)cc1Br)c1ccccc1O
InChIInChI=1S/C12H8Br3NO3S/c13-7-5-8(14)12(9(15)6-7)16-20(18,19)11-4-2-1-3-10(11)17/h1-6,16-17H
InChIKeyYKISOIBJMYWJRO-UHFFFAOYSA-N
MW485.98 g/mol
LogP4.48
Rot. Bonds3

About 2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide

2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide (PubChem CID 81241100) has the molecular formula C12H8Br3NO3S and a molecular weight of 485.98 g/mol. Its IUPAC name is 2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide
PubChem CID81241100
Molecular FormulaC12H8Br3NO3S
Molecular Weight485.98 g/mol
Exact Mass482.78
IUPAC Name2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(Br)cc(Br)cc1Br)c1ccccc1O
InChIInChI=1S/C12H8Br3NO3S/c13-7-5-8(14)12(9(15)6-7)16-20(18,19)11-4-2-1-3-10(11)17/h1-6,16-17H
InChIKeyYKISOIBJMYWJRO-UHFFFAOYSA-N
XLogP4.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.98
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide
CID 81245009
2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide
CID 106595571
N-(2-amino-4,6-dibromophenyl)-2-cyanobenzenesulfonamide
CID 43550675
2-(benzenesulfonamido)-3,5-dibromobenzamide
CID 155816192
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxybenzenesulfonamide
CID 81241328
4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 163343274
N-(5-bromopyrazin-2-yl)-2-hydroxybenzenesulfonamide
CID 81245361
N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide
CID 81241392
1-N,3-N,5-N-tris(2,6-dibromo-4-hydroxyphenyl)benzene-1,3,5-trisulfonamide
CID 57257832
N-(2-hydroxyphenyl)sulfonylacetamide
CID 130032595

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide?
The IUPAC name of 2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide (CID 81241100) is 2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide is O=S(=O)(Nc1c(Br)cc(Br)cc1Br)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide?
The InChIKey is YKISOIBJMYWJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3NO3S/c13-7-5-8(14)12(9(15)6-7)16-20(18,19)11-4-2-1-3-10(11)17/h1-6,16-17H.
What are the key properties of 2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide?
2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide has a molecular weight of 485.98 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide is sourced from PubChem (CID 81241100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).