1-methyl-3-(trifluoromethylsulfonyl)indole

C10H8F3NO2S — CID 54597968

IUPAC1-methyl-3-(trifluoromethylsulfonyl)indole
SMILESCn1cc(S(=O)(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C10H8F3NO2S/c1-14-6-9(17(15,16)10(11,12)13)7-4-2-3-5-8(7)14/h2-6H,1H3
InChIKeyDDVKDXQGZVKURU-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.47
Rot. Bonds1

About 1-methyl-3-(trifluoromethylsulfonyl)indole

1-methyl-3-(trifluoromethylsulfonyl)indole (PubChem CID 54597968) has the molecular formula C10H8F3NO2S and a molecular weight of 263.24 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethylsulfonyl)indole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethylsulfonyl)indole
PubChem CID54597968
Molecular FormulaC10H8F3NO2S
Molecular Weight263.24 g/mol
Exact Mass263.02
IUPAC Name1-methyl-3-(trifluoromethylsulfonyl)indole
SMILESCn1cc(S(=O)(=O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C10H8F3NO2S/c1-14-6-9(17(15,16)10(11,12)13)7-4-2-3-5-8(7)14/h2-6H,1H3
InChIKeyDDVKDXQGZVKURU-UHFFFAOYSA-N
XLogP2.47
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Phenylsulfonyl)-1H-indole
CID 315017
3-(phenylsulfonyl)-1-(pyrrolidin-3-yl)-1H-indole
CID 9840311
2-(3-(phenylsulfonyl)-1H-indol-1-yl)ethanamine
CID 10017687
3-(phenylsulfonyl)-1-(piperidin-3-yl)-1H-indole
CID 10042892
3-(phenylsulfonyl)-1-(piperidin-4-yl)-1H-indole
CID 10246639
N-benzenesulfonylgramine antagonist, 8
CID 11723168
1-(4-(methylsulfonyl)phenyl)-1H-indole
CID 11958319
3-(phenylsulfonyl)-1H-indole, 18a
CID 24861136
3-(phenylsulfonyl)-1H-indole, 18b
CID 24861246
N-Ethyl-N-methyl-3-[3-(phenylsulfonyl)-1H-indol-4-yl]propan-1-amine
CID 44473058
1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 9924959
4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 4625387

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethylsulfonyl)indole?
The IUPAC name of 1-methyl-3-(trifluoromethylsulfonyl)indole (CID 54597968) is 1-methyl-3-(trifluoromethylsulfonyl)indole.
What is the SMILES notation for 1-methyl-3-(trifluoromethylsulfonyl)indole?
The canonical SMILES for 1-methyl-3-(trifluoromethylsulfonyl)indole is Cn1cc(S(=O)(=O)C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-methyl-3-(trifluoromethylsulfonyl)indole?
The InChIKey is DDVKDXQGZVKURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2S/c1-14-6-9(17(15,16)10(11,12)13)7-4-2-3-5-8(7)14/h2-6H,1H3.
What are the key properties of 1-methyl-3-(trifluoromethylsulfonyl)indole?
1-methyl-3-(trifluoromethylsulfonyl)indole has a molecular weight of 263.24 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethylsulfonyl)indole is sourced from PubChem (CID 54597968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).