4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline

C21H20N2O3S — CID 66757420

IUPAC4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(-c4ccc(N)cc4)c32)cc1
InChIInChI=1S/C21H20N2O3S/c1-26-18-9-11-19(12-10-18)27(24,25)23-14-13-16-3-2-4-20(21(16)23)15-5-7-17(22)8-6-15/h2-12H,13-14,22H2,1H3
InChIKeyDCQLSYDMLOQGBY-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.70
Rot. Bonds4

About 4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline

4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline (PubChem CID 66757420) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline
PubChem CID66757420
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(-c4ccc(N)cc4)c32)cc1
InChIInChI=1S/C21H20N2O3S/c1-26-18-9-11-19(12-10-18)27(24,25)23-14-13-16-3-2-4-20(21(16)23)15-5-7-17(22)8-6-15/h2-12H,13-14,22H2,1H3
InChIKeyDCQLSYDMLOQGBY-UHFFFAOYSA-N
XLogP3.70
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline 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

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
1-[(4-Methoxyphenyl)sulfonyl]-2-methylindoline
CID 2989329
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide
CID 24993537
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-4-nitrobenzenesulfonamide
CID 24993538
4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide
CID 24993539
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide
CID 24993852
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
CID 24993853
1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-2,2-dimethyl-3H-indole
CID 44369415
1-(3,4-Dimethoxy-benzenesulfonyl)-2,3-dihydro-1H-indole
CID 667701
N-(2-Biphenylyl)-4-methoxybenzenesulfonamide
CID 3333876
[2-(1-Benzenesulfonyl-5-methoxy-2,3-dihydro-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 10269916
N-(1-adamantyl)-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
CID 71583711

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline?
The IUPAC name of 4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline (CID 66757420) is 4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline?
The canonical SMILES for 4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline is COc1ccc(S(=O)(=O)N2CCc3cccc(-c4ccc(N)cc4)c32)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline?
The InChIKey is DCQLSYDMLOQGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-26-18-9-11-19(12-10-18)27(24,25)23-14-13-16-3-2-4-20(21(16)23)15-5-7-17(22)8-6-15/h2-12H,13-14,22H2,1H3.
What are the key properties of 4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline?
4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline has a molecular weight of 380.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]aniline is sourced from PubChem (CID 66757420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).