4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline

C18H21N3O2S — CID 23757270

IUPAC4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline
SMILESCN(C)CCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C18H21N3O2S/c1-20(2)12-11-14-13-21(18-6-4-3-5-17(14)18)24(22,23)16-9-7-15(19)8-10-16/h3-10,13H,11-12,19H2,1-2H3
InChIKeyFBZNHEBASSSMLO-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.56
Rot. Bonds5

About 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline

4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline (PubChem CID 23757270) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline.

Molecular Properties

Compound Name4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline
PubChem CID23757270
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline
SMILESCN(C)CCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C18H21N3O2S/c1-20(2)12-11-14-13-21(18-6-4-3-5-17(14)18)24(22,23)16-9-7-15(19)8-10-16/h3-10,13H,11-12,19H2,1-2H3
InChIKeyFBZNHEBASSSMLO-UHFFFAOYSA-N
XLogP2.56
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline 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

2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258551
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N-methyl-1-phenylmethanamine
CID 71694981
1-(benzenesulfonyl)-3-benzylindole
CID 86142945
2-(1-ethylsulfonylindol-3-yl)ethanamine
CID 82481545
1-(benzenesulfonyl)indol-3-amine
CID 142808384
2-[1-[1-(4-aminophenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 75115720
tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane
CID 11453175
2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine
CID 23655288
methyl 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]acetate
CID 598937
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424
1-(benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10317027

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline?
The IUPAC name of 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline (CID 23757270) is 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline.
What is the SMILES notation for 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline?
The canonical SMILES for 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline is CN(C)CCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12.
What is the InChIKey of 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline?
The InChIKey is FBZNHEBASSSMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-20(2)12-11-14-13-21(18-6-4-3-5-17(14)18)24(22,23)16-9-7-15(19)8-10-16/h3-10,13H,11-12,19H2,1-2H3.
What are the key properties of 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline?
4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline has a molecular weight of 343.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]sulfonylaniline is sourced from PubChem (CID 23757270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).