5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole

C11H10Cl3NOS — CID 13163024

IUPAC5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole
SMILESCc1ccc2[nH]c(CS(=O)C(Cl)(Cl)Cl)cc2c1
InChIInChI=1S/C11H10Cl3NOS/c1-7-2-3-10-8(4-7)5-9(15-10)6-17(16)11(12,13)14/h2-5,15H,6H2,1H3
InChIKeyDJWJRKOFUUEGQY-UHFFFAOYSA-N
MW310.63 g/mol
LogP4.05
Rot. Bonds2

About 5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole

5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole (PubChem CID 13163024) has the molecular formula C11H10Cl3NOS and a molecular weight of 310.63 g/mol. Its IUPAC name is 5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole.

Molecular Properties

Compound Name5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole
PubChem CID13163024
Molecular FormulaC11H10Cl3NOS
Molecular Weight310.63 g/mol
Exact Mass308.95
IUPAC Name5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole
SMILESCc1ccc2[nH]c(CS(=O)C(Cl)(Cl)Cl)cc2c1
InChIInChI=1S/C11H10Cl3NOS/c1-7-2-3-10-8(4-7)5-9(15-10)6-17(16)11(12,13)14/h2-5,15H,6H2,1H3
InChIKeyDJWJRKOFUUEGQY-UHFFFAOYSA-N
XLogP4.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.63
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-1H-indol-2-yl)ethanol
CID 83674310
acetaldehyde;ethane;N-ethyl-3-(5-methyl-1H-indol-2-yl)propan-1-amine
CID 143673564
4-[(5-methyl-1H-indol-2-yl)methoxy]phenol
CID 117185406
2,5-dimethyl-1H-indole;ethane;propane
CID 144992538
2-[(3-bromophenoxy)methyl]-5-methyl-1H-indole
CID 117185390
N,5-dimethyl-1H-indol-2-amine;dihydrochloride
CID 57435942
5-methyl-2-(trifluoromethyl)-1H-indole
CID 83485208
2-methanidyl-5-methyl-1H-indole;yttrium
CID 59004658
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
2-(4-tert-butylphenyl)-5-methyl-1H-indole
CID 36688009
5-methyl-2-(pyridin-3-yloxymethyl)-1H-indole
CID 117185410
N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 947723

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole?
The IUPAC name of 5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole (CID 13163024) is 5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole.
What is the SMILES notation for 5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole?
The canonical SMILES for 5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole is Cc1ccc2[nH]c(CS(=O)C(Cl)(Cl)Cl)cc2c1.
What is the InChIKey of 5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole?
The InChIKey is DJWJRKOFUUEGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NOS/c1-7-2-3-10-8(4-7)5-9(15-10)6-17(16)11(12,13)14/h2-5,15H,6H2,1H3.
What are the key properties of 5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole?
5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole has a molecular weight of 310.63 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(trichloromethylsulfinylmethyl)-1H-indole is sourced from PubChem (CID 13163024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).