5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole

C10H5Cl3F3NO2S — CID 15335372

IUPAC5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole
SMILESO=S(=O)(c1cc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)C(F)Cl
InChIInChI=1S/C10H5Cl3F3NO2S/c11-5-1-4-2-8(17-7(4)3-6(5)12)20(18,19)10(15,16)9(13)14/h1-3,9,17H
InChIKeyCGJDIAMKQYMNGI-UHFFFAOYSA-N
MW366.58 g/mol
LogP4.38
Rot. Bonds3

About 5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole

5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole (PubChem CID 15335372) has the molecular formula C10H5Cl3F3NO2S and a molecular weight of 366.58 g/mol. Its IUPAC name is 5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole.

Molecular Properties

Compound Name5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole
PubChem CID15335372
Molecular FormulaC10H5Cl3F3NO2S
Molecular Weight366.58 g/mol
Exact Mass364.91
IUPAC Name5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole
SMILESO=S(=O)(c1cc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)C(F)Cl
InChIInChI=1S/C10H5Cl3F3NO2S/c11-5-1-4-2-8(17-7(4)3-6(5)12)20(18,19)10(15,16)9(13)14/h1-3,9,17H
InChIKeyCGJDIAMKQYMNGI-UHFFFAOYSA-N
XLogP4.38
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole?
The IUPAC name of 5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole (CID 15335372) is 5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole.
What is the SMILES notation for 5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole?
The canonical SMILES for 5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole is O=S(=O)(c1cc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)C(F)Cl.
What is the InChIKey of 5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole?
The InChIKey is CGJDIAMKQYMNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3F3NO2S/c11-5-1-4-2-8(17-7(4)3-6(5)12)20(18,19)10(15,16)9(13)14/h1-3,9,17H.
What are the key properties of 5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole?
5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole has a molecular weight of 366.58 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole is sourced from PubChem (CID 15335372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).