6-(difluoromethoxy)-1H-indole-3-sulfonic acid

C9H7F2NO4S — CID 152680625

IUPAC6-(difluoromethoxy)-1H-indole-3-sulfonic acid
SMILESO=S(=O)(O)c1c[nH]c2cc(OC(F)F)ccc12
InChIInChI=1S/C9H7F2NO4S/c10-9(11)16-5-1-2-6-7(3-5)12-4-8(6)17(13,14)15/h1-4,9,12H,(H,13,14,15)
InChIKeyZNLVJFYLAQFQTR-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.02
Rot. Bonds3

About 6-(difluoromethoxy)-1H-indole-3-sulfonic acid

6-(difluoromethoxy)-1H-indole-3-sulfonic acid (PubChem CID 152680625) has the molecular formula C9H7F2NO4S and a molecular weight of 263.22 g/mol. Its IUPAC name is 6-(difluoromethoxy)-1H-indole-3-sulfonic acid.

Molecular Properties

Compound Name6-(difluoromethoxy)-1H-indole-3-sulfonic acid
PubChem CID152680625
Molecular FormulaC9H7F2NO4S
Molecular Weight263.22 g/mol
Exact Mass263.01
IUPAC Name6-(difluoromethoxy)-1H-indole-3-sulfonic acid
SMILESO=S(=O)(O)c1c[nH]c2cc(OC(F)F)ccc12
InChIInChI=1S/C9H7F2NO4S/c10-9(11)16-5-1-2-6-7(3-5)12-4-8(6)17(13,14)15/h1-4,9,12H,(H,13,14,15)
InChIKeyZNLVJFYLAQFQTR-UHFFFAOYSA-N
XLogP2.02
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(difluoromethoxy)-1H-indole-3-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-1H-indole-3-sulfonic acid?
The IUPAC name of 6-(difluoromethoxy)-1H-indole-3-sulfonic acid (CID 152680625) is 6-(difluoromethoxy)-1H-indole-3-sulfonic acid.
What is the SMILES notation for 6-(difluoromethoxy)-1H-indole-3-sulfonic acid?
The canonical SMILES for 6-(difluoromethoxy)-1H-indole-3-sulfonic acid is O=S(=O)(O)c1c[nH]c2cc(OC(F)F)ccc12.
What is the InChIKey of 6-(difluoromethoxy)-1H-indole-3-sulfonic acid?
The InChIKey is ZNLVJFYLAQFQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO4S/c10-9(11)16-5-1-2-6-7(3-5)12-4-8(6)17(13,14)15/h1-4,9,12H,(H,13,14,15).
What are the key properties of 6-(difluoromethoxy)-1H-indole-3-sulfonic acid?
6-(difluoromethoxy)-1H-indole-3-sulfonic acid has a molecular weight of 263.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-1H-indole-3-sulfonic acid is sourced from PubChem (CID 152680625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).