(2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid

C11H11F3N2O4S — CID 104977885

IUPAC(2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2N1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H11F3N2O4S/c12-11(13,14)6-15-21(19,20)16-8-4-2-1-3-7(8)5-9(16)10(17)18/h1-4,9,15H,5-6H2,(H,17,18)/t9-/m0/s1
InChIKeyQFZBRYLIACHYLZ-VIFPVBQESA-N
MW324.28 g/mol
LogP0.90
Rot. Bonds4

About (2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid

(2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 104977885) has the molecular formula C11H11F3N2O4S and a molecular weight of 324.28 g/mol. Its IUPAC name is (2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID104977885
Molecular FormulaC11H11F3N2O4S
Molecular Weight324.28 g/mol
Exact Mass324.04
IUPAC Name(2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2N1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H11F3N2O4S/c12-11(13,14)6-15-21(19,20)16-8-4-2-1-3-7(8)5-9(16)10(17)18/h1-4,9,15H,5-6H2,(H,17,18)/t9-/m0/s1
InChIKeyQFZBRYLIACHYLZ-VIFPVBQESA-N
XLogP0.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid 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

1-methylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 3486672
(2S)-1-[2-(2,2,2-trifluoroethylamino)acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 79264391
(2S)-1-tert-butylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 55232020
1-cyclohexylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 61066000
(2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 154745822
1-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 43097620
(2S)-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565
1-[2-(2-chlorophenyl)ethenylsulfonyl]-2,3-dihydroindole-2-carboxylic acid
CID 126802773
1-(3,3,3-trifluoropropylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 63227411
1-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 43106825
1-(3-chloro-1-phenylprop-2-enyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 174407664
(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 70189180

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid (CID 104977885) is (2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)[C@@H]1Cc2ccccc2N1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of (2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is QFZBRYLIACHYLZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11F3N2O4S/c12-11(13,14)6-15-21(19,20)16-8-4-2-1-3-7(8)5-9(16)10(17)18/h1-4,9,15H,5-6H2,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 324.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2,2-trifluoroethylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 104977885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).