[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone

C21H22F2N2O3S — CID 10025133

IUPAC[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2c3ccc(F)c(F)c3C[C@H]2C)cc1
InChIInChI=1S/C21H22F2N2O3S/c1-13-5-7-15(8-6-13)29(27,28)24-11-3-4-19(24)21(26)25-14(2)12-16-18(25)10-9-17(22)20(16)23/h5-10,14,19H,3-4,11-12H2,1-2H3/t14-,19+/m1/s1
InChIKeyUDQLKFOLSJBVIN-KUHUBIRLSA-N
MW420.48 g/mol
LogP3.40
Rot. Bonds3

About [(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone

[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone (PubChem CID 10025133) has the molecular formula C21H22F2N2O3S and a molecular weight of 420.48 g/mol. Its IUPAC name is [(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
PubChem CID10025133
Molecular FormulaC21H22F2N2O3S
Molecular Weight420.48 g/mol
Exact Mass420.13
IUPAC Name[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2c3ccc(F)c(F)c3C[C@H]2C)cc1
InChIInChI=1S/C21H22F2N2O3S/c1-13-5-7-15(8-6-13)29(27,28)24-11-3-4-19(24)21(26)25-14(2)12-16-18(25)10-9-17(22)20(16)23/h5-10,14,19H,3-4,11-12H2,1-2H3/t14-,19+/m1/s1
InChIKeyUDQLKFOLSJBVIN-KUHUBIRLSA-N
XLogP3.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone 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

(4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 54347968
(4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl)-[(2S)-1-(5-hydroxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 67758263
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
[1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55941516
(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 23881315
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-one
CID 12643847
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 979715
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 27828098
N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 15318368

Frequently Asked Questions

What is the IUPAC name of [(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
The IUPAC name of [(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone (CID 10025133) is [(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone.
What is the SMILES notation for [(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
The canonical SMILES for [(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone is Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2c3ccc(F)c(F)c3C[C@H]2C)cc1.
What is the InChIKey of [(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
The InChIKey is UDQLKFOLSJBVIN-KUHUBIRLSA-N. The full InChI is InChI=1S/C21H22F2N2O3S/c1-13-5-7-15(8-6-13)29(27,28)24-11-3-4-19(24)21(26)25-14(2)12-16-18(25)10-9-17(22)20(16)23/h5-10,14,19H,3-4,11-12H2,1-2H3/t14-,19+/m1/s1.
What are the key properties of [(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone?
[(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone has a molecular weight of 420.48 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4,5-difluoro-2-methyl-2,3-dihydroindol-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 10025133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).