4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline

C19H23N3O3S — CID 23844114

IUPAC4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C19H23N3O3S/c1-21(2)11-10-14-13-22(19-9-6-16(25-3)12-18(14)19)26(23,24)17-7-4-15(20)5-8-17/h4-9,12-13H,10-11,20H2,1-3H3
InChIKeyAVDFAXBYOZRKJH-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.57
Rot. Bonds6

About 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline

4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline (PubChem CID 23844114) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline.

Molecular Properties

Compound Name4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline
PubChem CID23844114
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C19H23N3O3S/c1-21(2)11-10-14-13-22(19-9-6-16(25-3)12-18(14)19)26(23,24)17-7-4-15(20)5-8-17/h4-9,12-13H,10-11,20H2,1-3H3
InChIKeyAVDFAXBYOZRKJH-UHFFFAOYSA-N
XLogP2.57
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline?
The IUPAC name of 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline (CID 23844114) is 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline.
What is the SMILES notation for 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline?
The canonical SMILES for 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline is COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline?
The InChIKey is AVDFAXBYOZRKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-21(2)11-10-14-13-22(19-9-6-16(25-3)12-18(14)19)26(23,24)17-7-4-15(20)5-8-17/h4-9,12-13H,10-11,20H2,1-3H3.
What are the key properties of 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline?
4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline has a molecular weight of 373.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]sulfonylaniline is sourced from PubChem (CID 23844114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).