5-bromo-6-chloro-1H-indole-3-sulfonic acid

C8H5BrClNO3S — CID 86698834

IUPAC5-bromo-6-chloro-1H-indole-3-sulfonic acid
SMILESO=S(=O)(O)c1c[nH]c2cc(Cl)c(Br)cc12
InChIInChI=1S/C8H5BrClNO3S/c9-5-1-4-7(2-6(5)10)11-3-8(4)15(12,13)14/h1-3,11H,(H,12,13,14)
InChIKeyRWMOIMOYUORNOH-UHFFFAOYSA-N
MW310.56 g/mol
LogP2.83
Rot. Bonds1

About 5-bromo-6-chloro-1H-indole-3-sulfonic acid

5-bromo-6-chloro-1H-indole-3-sulfonic acid (PubChem CID 86698834) has the molecular formula C8H5BrClNO3S and a molecular weight of 310.56 g/mol. Its IUPAC name is 5-bromo-6-chloro-1H-indole-3-sulfonic acid.

Molecular Properties

Compound Name5-bromo-6-chloro-1H-indole-3-sulfonic acid
PubChem CID86698834
Molecular FormulaC8H5BrClNO3S
Molecular Weight310.56 g/mol
Exact Mass308.89
IUPAC Name5-bromo-6-chloro-1H-indole-3-sulfonic acid
SMILESO=S(=O)(O)c1c[nH]c2cc(Cl)c(Br)cc12
InChIInChI=1S/C8H5BrClNO3S/c9-5-1-4-7(2-6(5)10)11-3-8(4)15(12,13)14/h1-3,11H,(H,12,13,14)
InChIKeyRWMOIMOYUORNOH-UHFFFAOYSA-N
XLogP2.83
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.56
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-chloro-1H-indole-3-sulfonyl chloride
CID 135201370
bis(5-bromo-6-chloro-1H-indol-3-yl) sulfate
CID 19432323
4-bromo-2,5-dichlorobenzenesulfonic acid
CID 169337234
7-bromo-6-chloro-1H-indole-3-sulfonic acid
CID 170985985
4-hydroxy-6-oxo-1H-pyridine-3-sulfonic acid
CID 54722076
5-bromo-6-chloro-1H-indol-3-ol;butanoic acid
CID 66685115
5-bromo-6-chloro-1H-indol-3-ol;hexadecanoic acid
CID 66684871
2-acetamido-3-(5-bromo-6-chloro-1H-indol-3-yl)propanoic acid
CID 166609238
2-[6-[C-[(5-bromo-6-chloro-1H-indol-3-yl)sulfonyl]carbonimidoyl]-5-fluoro-2-methoxy-3-pyridinyl]acetonitrile
CID 135201608
5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide
CID 167920553
6-bromo-3-chloro-7-fluoro-1H-quinolin-4-one
CID 114759586
2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 24801955

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-1H-indole-3-sulfonic acid?
The IUPAC name of 5-bromo-6-chloro-1H-indole-3-sulfonic acid (CID 86698834) is 5-bromo-6-chloro-1H-indole-3-sulfonic acid.
What is the SMILES notation for 5-bromo-6-chloro-1H-indole-3-sulfonic acid?
The canonical SMILES for 5-bromo-6-chloro-1H-indole-3-sulfonic acid is O=S(=O)(O)c1c[nH]c2cc(Cl)c(Br)cc12.
What is the InChIKey of 5-bromo-6-chloro-1H-indole-3-sulfonic acid?
The InChIKey is RWMOIMOYUORNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNO3S/c9-5-1-4-7(2-6(5)10)11-3-8(4)15(12,13)14/h1-3,11H,(H,12,13,14).
What are the key properties of 5-bromo-6-chloro-1H-indole-3-sulfonic acid?
5-bromo-6-chloro-1H-indole-3-sulfonic acid has a molecular weight of 310.56 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-1H-indole-3-sulfonic acid is sourced from PubChem (CID 86698834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).