2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole

C10H7ClF3NO2S — CID 150326829

IUPAC2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole
SMILESO=S(=O)(c1cc2ccccc2[nH]1)C(F)(F)C(F)Cl
InChIInChI=1S/C10H7ClF3NO2S/c11-9(12)10(13,14)18(16,17)8-5-6-3-1-2-4-7(6)15-8/h1-5,9,15H
InChIKeyGOVCKPVZSWUSNK-UHFFFAOYSA-N
MW297.69 g/mol
LogP3.07
Rot. Bonds3

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

2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole (PubChem CID 150326829) has the molecular formula C10H7ClF3NO2S and a molecular weight of 297.69 g/mol. Its IUPAC name is 2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole.

Molecular Properties

Compound Name2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole
PubChem CID150326829
Molecular FormulaC10H7ClF3NO2S
Molecular Weight297.69 g/mol
Exact Mass296.98
IUPAC Name2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole
SMILESO=S(=O)(c1cc2ccccc2[nH]1)C(F)(F)C(F)Cl
InChIInChI=1S/C10H7ClF3NO2S/c11-9(12)10(13,14)18(16,17)8-5-6-3-1-2-4-7(6)15-8/h1-5,9,15H
InChIKeyGOVCKPVZSWUSNK-UHFFFAOYSA-N
XLogP3.07
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole with MolForge

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

Launch Full Analysis

Related Compounds

5,6-dichloro-2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole
CID 15335372
2-propan-2-ylsulfonyl-1H-indole
CID 150324916
2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-indole
CID 87352678
1H-indole-2-sulfonic acid;pyridine
CID 175739122
3-(dichloromethyl)-1H-quinolin-2-one
CID 15208670
2-(4-nitrophenyl)sulfonyl-1H-indole
CID 140573941
2-(1H-indol-2-ylsulfonylamino)acetic acid
CID 22400906
2-(1-methylsulfonylethyl)-1H-indole
CID 173051925
3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide
CID 68649291
2-bromo-1H-indole
CID 11805631
N-(1H-indol-2-yl)ethanesulfonamide
CID 70353498
2-chloro-2-(1H-indol-2-yl)acetamide
CID 173051897

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole?
The IUPAC name of 2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole (CID 150326829) is 2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole.
What is the SMILES notation for 2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole?
The canonical SMILES for 2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole is O=S(=O)(c1cc2ccccc2[nH]1)C(F)(F)C(F)Cl.
What is the InChIKey of 2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole?
The InChIKey is GOVCKPVZSWUSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3NO2S/c11-9(12)10(13,14)18(16,17)8-5-6-3-1-2-4-7(6)15-8/h1-5,9,15H.
What are the key properties of 2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole?
2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole has a molecular weight of 297.69 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole is sourced from PubChem (CID 150326829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).