3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide

C12H9Br2NO3S — CID 70636800

IUPAC3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H9Br2NO3S/c13-8-5-9(14)7-10(6-8)19(17,18)15-11-3-1-2-4-12(11)16/h1-7,15-16H
InChIKeyHQORWHYDEIWFFG-UHFFFAOYSA-N
MW407.08 g/mol
LogP3.72
Rot. Bonds3

About 3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide

3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide (PubChem CID 70636800) has the molecular formula C12H9Br2NO3S and a molecular weight of 407.08 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide
PubChem CID70636800
Molecular FormulaC12H9Br2NO3S
Molecular Weight407.08 g/mol
Exact Mass404.87
IUPAC Name3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H9Br2NO3S/c13-8-5-9(14)7-10(6-8)19(17,18)15-11-3-1-2-4-12(11)16/h1-7,15-16H
InChIKeyHQORWHYDEIWFFG-UHFFFAOYSA-N
XLogP3.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.08
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 4993615
4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 163343274
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid
CID 62534954
N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide
CID 79822200
N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917040
5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide
CID 81496242
N-(2-hydroxyphenyl)-4-(2-methylpropanoyl)benzenesulfonamide
CID 94779737
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
3,5-dichloro-N-(5-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 58496706
2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 81241100
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide (CID 70636800) is 3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide?
The InChIKey is HQORWHYDEIWFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO3S/c13-8-5-9(14)7-10(6-8)19(17,18)15-11-3-1-2-4-12(11)16/h1-7,15-16H.
What are the key properties of 3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide?
3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide has a molecular weight of 407.08 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 70636800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).