4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline

C20H21N3O3S — CID 11361090

IUPAC4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline
SMILESCOc1ccc2c(c1)c(C1=CCNCC1)cn2S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C20H21N3O3S/c1-26-16-4-7-20-18(12-16)19(14-8-10-22-11-9-14)13-23(20)27(24,25)17-5-2-15(21)3-6-17/h2-8,12-13,22H,9-11,21H2,1H3
InChIKeyFXJNMAADTCUZOE-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.85
Rot. Bonds4

About 4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline

4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline (PubChem CID 11361090) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline.

Molecular Properties

Compound Name4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline
PubChem CID11361090
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline
SMILESCOc1ccc2c(c1)c(C1=CCNCC1)cn2S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C20H21N3O3S/c1-26-16-4-7-20-18(12-16)19(14-8-10-22-11-9-14)13-23(20)27(24,25)17-5-2-15(21)3-6-17/h2-8,12-13,22H,9-11,21H2,1H3
InChIKeyFXJNMAADTCUZOE-UHFFFAOYSA-N
XLogP2.85
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)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

4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylisoquinoline
CID 146680920
3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole
CID 11339335
3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxy-1-(4-methylphenyl)sulfonylindole
CID 91016568
5-methoxy-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 14403889
cis-ethyl (1S,2R)-2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate
CID 129394163
[1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl] benzenesulfonate
CID 10279089
3-(chloromethyl)-5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindole
CID 69192857
N-[4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-yl]acetamide
CID 155528355
6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline
CID 155561906
4-[5-bromo-1-(4-methoxyphenyl)sulfonylindol-3-yl]pyrimidin-2-amine
CID 118737083
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one
CID 110169575

Frequently Asked Questions

What is the IUPAC name of 4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline?
The IUPAC name of 4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline (CID 11361090) is 4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline.
What is the SMILES notation for 4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline?
The canonical SMILES for 4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline is COc1ccc2c(c1)c(C1=CCNCC1)cn2S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline?
The InChIKey is FXJNMAADTCUZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-26-16-4-7-20-18(12-16)19(14-8-10-22-11-9-14)13-23(20)27(24,25)17-5-2-15(21)3-6-17/h2-8,12-13,22H,9-11,21H2,1H3.
What are the key properties of 4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline?
4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline has a molecular weight of 383.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline is sourced from PubChem (CID 11361090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).