2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone

C19H19NO3S — CID 4305804

IUPAC2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C19H19NO3S/c1-14-6-8-16(9-7-14)24(22,23)19(11-12-19)18(21)20-13-10-15-4-2-3-5-17(15)20/h2-9H,10-13H2,1H3
InChIKeyJTCDOQVUAWUVTR-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.89
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone

2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone (PubChem CID 4305804) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
PubChem CID4305804
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C19H19NO3S/c1-14-6-8-16(9-7-14)24(22,23)19(11-12-19)18(21)20-13-10-15-4-2-3-5-17(15)20/h2-9H,10-13H2,1H3
InChIKeyJTCDOQVUAWUVTR-UHFFFAOYSA-N
XLogP2.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]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

3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
CID 15997169
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198266
1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 108980844
[1-(4-methylphenyl)sulfonylcyclopropyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 22429104
(3,5-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
CID 4110791
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2357612
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea
CID 110348145
2,3-dihydroindol-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 119673107
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 28631519
2,3-dihydroindol-1-yl-[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone
CID 38106390
1-(4-methylphenyl)sulfonylcycloheptane-1-carboxylic acid
CID 43519387
N'-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2,3-dihydroindole-1-carboximidamide
CID 110983518

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone (CID 4305804) is 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone is Cc1ccc(S(=O)(=O)C2(C(=O)N3CCc4ccccc43)CC2)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
The InChIKey is JTCDOQVUAWUVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-14-6-8-16(9-7-14)24(22,23)19(11-12-19)18(21)20-13-10-15-4-2-3-5-17(15)20/h2-9H,10-13H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone has a molecular weight of 341.43 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone is sourced from PubChem (CID 4305804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).