5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide

C11H8Br2N2O3S — CID 81496242

IUPAC5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1O)c1cncc(Br)c1
InChIInChI=1S/C11H8Br2N2O3S/c12-7-4-8(6-14-5-7)19(17,18)15-10-3-1-2-9(13)11(10)16/h1-6,15-16H
InChIKeyCLFHWKVYNHBDDI-UHFFFAOYSA-N
MW408.07 g/mol
LogP3.11
Rot. Bonds3

About 5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide

5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide (PubChem CID 81496242) has the molecular formula C11H8Br2N2O3S and a molecular weight of 408.07 g/mol. Its IUPAC name is 5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide
PubChem CID81496242
Molecular FormulaC11H8Br2N2O3S
Molecular Weight408.07 g/mol
Exact Mass405.86
IUPAC Name5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1O)c1cncc(Br)c1
InChIInChI=1S/C11H8Br2N2O3S/c12-7-4-8(6-14-5-7)19(17,18)15-10-3-1-2-9(13)11(10)16/h1-6,15-16H
InChIKeyCLFHWKVYNHBDDI-UHFFFAOYSA-N
XLogP3.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.07
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide (CID 81496242) is 5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide is O=S(=O)(Nc1cccc(Br)c1O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide?
The InChIKey is CLFHWKVYNHBDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O3S/c12-7-4-8(6-14-5-7)19(17,18)15-10-3-1-2-9(13)11(10)16/h1-6,15-16H.
What are the key properties of 5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide?
5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide has a molecular weight of 408.07 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 81496242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).