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

C11H8ClF4NO3S — CID 82011788

IUPAC5-fluoro-1-[2-(trifluoromethoxy)ethyl]indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(CCOC(F)(F)F)c2ccc(F)cc12
InChIInChI=1S/C11H8ClF4NO3S/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
InChIKeyDAHXBQXJHCLLQK-UHFFFAOYSA-N
MW345.70 g/mol
LogP3.24
Rot. Bonds4

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

5-fluoro-1-[2-(trifluoromethoxy)ethyl]indole-3-sulfonyl chloride (PubChem CID 82011788) has the molecular formula C11H8ClF4NO3S and a molecular weight of 345.70 g/mol. Its IUPAC name is 5-fluoro-1-[2-(trifluoromethoxy)ethyl]indole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-1-[2-(trifluoromethoxy)ethyl]indole-3-sulfonyl chloride
PubChem CID82011788
Molecular FormulaC11H8ClF4NO3S
Molecular Weight345.70 g/mol
Exact Mass344.98
IUPAC Name5-fluoro-1-[2-(trifluoromethoxy)ethyl]indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(CCOC(F)(F)F)c2ccc(F)cc12
InChIInChI=1S/C11H8ClF4NO3S/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
InChIKeyDAHXBQXJHCLLQK-UHFFFAOYSA-N
XLogP3.24
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.70
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-(trifluoromethoxy)ethyl]indole-3-sulfonyl chloride?
The IUPAC name of 5-fluoro-1-[2-(trifluoromethoxy)ethyl]indole-3-sulfonyl chloride (CID 82011788) is 5-fluoro-1-[2-(trifluoromethoxy)ethyl]indole-3-sulfonyl chloride.
What is the SMILES notation for 5-fluoro-1-[2-(trifluoromethoxy)ethyl]indole-3-sulfonyl chloride?
The canonical SMILES for 5-fluoro-1-[2-(trifluoromethoxy)ethyl]indole-3-sulfonyl chloride is O=S(=O)(Cl)c1cn(CCOC(F)(F)F)c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-1-[2-(trifluoromethoxy)ethyl]indole-3-sulfonyl chloride?
The InChIKey is DAHXBQXJHCLLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF4NO3S/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-(trifluoromethoxy)ethyl]indole-3-sulfonyl chloride?
5-fluoro-1-[2-(trifluoromethoxy)ethyl]indole-3-sulfonyl chloride has a molecular weight of 345.70 g/mol, XLogP of 3.24, 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-(trifluoromethoxy)ethyl]indole-3-sulfonyl chloride is sourced from PubChem (CID 82011788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).