5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride

Name: 5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₈ClF₄NO₂S₂ — CID 116617195

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride

SMILESO=S(=O)(Cl)c1cn(CCSC(F)(F)F)c2ccc(F)cc12

InChIInChI=1S/C11H8ClF4NO2S2/c12-21(18,19)10-6-17(3-4-20-11(14,15)16)9-2-1-7(13)5-8(9)10/h1-2,5-6H,3-4H2

InChIKeyOZEVJKDQCVKTAB-UHFFFAOYSA-N

MW361.77 g/mol

LogP3.96

Rot. Bonds4

About 5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride

5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride (PubChem CID 116617195) has the molecular formula C₁₁H₈ClF₄NO₂S₂ and a molecular weight of 361.77 g/mol. Its IUPAC name is 5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride.

Molecular Properties

Compound Name	5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride
PubChem CID	116617195
Molecular Formula	C₁₁H₈ClF₄NO₂S₂
Molecular Weight	361.77 g/mol
Exact Mass	360.96
IUPAC Name	5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride
SMILES	O=S(=O)(Cl)c1cn(CCSC(F)(F)F)c2ccc(F)cc12
InChI	InChI=1S/C11H8ClF4NO2S2/c12-21(18,19)10-6-17(3-4-20-11(14,15)16)9-2-1-7(13)5-8(9)10/h1-2,5-6H,3-4H2
InChIKey	OZEVJKDQCVKTAB-UHFFFAOYSA-N
XLogP	3.96
TPSA	39.07 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.77
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride?

The IUPAC name of 5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride (CID 116617195) is 5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride.

What is the SMILES notation for 5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride?

The canonical SMILES for 5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride is O=S(=O)(Cl)c1cn(CCSC(F)(F)F)c2ccc(F)cc12.

What is the InChIKey of 5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride?

The InChIKey is OZEVJKDQCVKTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF4NO2S2/c12-21(18,19)10-6-17(3-4-20-11(14,15)16)9-2-1-7(13)5-8(9)10/h1-2,5-6H,3-4H2.

What are the key properties of 5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride?

5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride has a molecular weight of 361.77 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-1-[2-(trifluoromethylsulfanyl)ethyl]indole-3-sulfonyl chloride is sourced from PubChem (CID 116617195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 116617195 — identifiers, structure, computed properties (public domain)

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