6-fluoro-1H-indole-3-sulfonyl chloride

C8H5ClFNO2S — CID 53438780

IUPAC6-fluoro-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C8H5ClFNO2S/c9-14(12,13)8-4-11-7-3-5(10)1-2-6(7)8/h1-4,11H
InChIKeyJSTGPRSOPPQMDQ-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.23
Rot. Bonds1

About 6-fluoro-1H-indole-3-sulfonyl chloride

6-fluoro-1H-indole-3-sulfonyl chloride (PubChem CID 53438780) has the molecular formula C8H5ClFNO2S and a molecular weight of 233.65 g/mol. Its IUPAC name is 6-fluoro-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name6-fluoro-1H-indole-3-sulfonyl chloride
PubChem CID53438780
Molecular FormulaC8H5ClFNO2S
Molecular Weight233.65 g/mol
Exact Mass232.97
IUPAC Name6-fluoro-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C8H5ClFNO2S/c9-14(12,13)8-4-11-7-3-5(10)1-2-6(7)8/h1-4,11H
InChIKeyJSTGPRSOPPQMDQ-UHFFFAOYSA-N
XLogP2.23
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-1H-indole-3-sulfonyl chloride 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-fluoro-1H-indole-3-sulfonyl chloride?
The IUPAC name of 6-fluoro-1H-indole-3-sulfonyl chloride (CID 53438780) is 6-fluoro-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 6-fluoro-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 6-fluoro-1H-indole-3-sulfonyl chloride is O=S(=O)(Cl)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1H-indole-3-sulfonyl chloride?
The InChIKey is JSTGPRSOPPQMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFNO2S/c9-14(12,13)8-4-11-7-3-5(10)1-2-6(7)8/h1-4,11H.
What are the key properties of 6-fluoro-1H-indole-3-sulfonyl chloride?
6-fluoro-1H-indole-3-sulfonyl chloride has a molecular weight of 233.65 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 53438780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).