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

C8H5BrClNO3S — CID 170985985

IUPAC7-bromo-6-chloro-1H-indole-3-sulfonic acid
SMILESO=S(=O)(O)c1c[nH]c2c(Br)c(Cl)ccc12
InChIInChI=1S/C8H5BrClNO3S/c9-7-5(10)2-1-4-6(15(12,13)14)3-11-8(4)7/h1-3,11H,(H,12,13,14)
InChIKeyFXRSVAAYNQNDGH-UHFFFAOYSA-N
MW310.56 g/mol
LogP2.83
Rot. Bonds1

About 7-bromo-6-chloro-1H-indole-3-sulfonic acid

7-bromo-6-chloro-1H-indole-3-sulfonic acid (PubChem CID 170985985) has the molecular formula C8H5BrClNO3S and a molecular weight of 310.56 g/mol. Its IUPAC name is 7-bromo-6-chloro-1H-indole-3-sulfonic acid.

Molecular Properties

Compound Name7-bromo-6-chloro-1H-indole-3-sulfonic acid
PubChem CID170985985
Molecular FormulaC8H5BrClNO3S
Molecular Weight310.56 g/mol
Exact Mass308.89
IUPAC Name7-bromo-6-chloro-1H-indole-3-sulfonic acid
SMILESO=S(=O)(O)c1c[nH]c2c(Br)c(Cl)ccc12
InChIInChI=1S/C8H5BrClNO3S/c9-7-5(10)2-1-4-6(15(12,13)14)3-11-8(4)7/h1-3,11H,(H,12,13,14)
InChIKeyFXRSVAAYNQNDGH-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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-1H-indole-3-sulfonic acid?
The IUPAC name of 7-bromo-6-chloro-1H-indole-3-sulfonic acid (CID 170985985) is 7-bromo-6-chloro-1H-indole-3-sulfonic acid.
What is the SMILES notation for 7-bromo-6-chloro-1H-indole-3-sulfonic acid?
The canonical SMILES for 7-bromo-6-chloro-1H-indole-3-sulfonic acid is O=S(=O)(O)c1c[nH]c2c(Br)c(Cl)ccc12.
What is the InChIKey of 7-bromo-6-chloro-1H-indole-3-sulfonic acid?
The InChIKey is FXRSVAAYNQNDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClNO3S/c9-7-5(10)2-1-4-6(15(12,13)14)3-11-8(4)7/h1-3,11H,(H,12,13,14).
What are the key properties of 7-bromo-6-chloro-1H-indole-3-sulfonic acid?
7-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 7-bromo-6-chloro-1H-indole-3-sulfonic acid is sourced from PubChem (CID 170985985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).