4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide

C17H15ClN2OS — CID 2156385

IUPAC4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSc1c[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2OS/c18-13-7-5-12(6-8-13)17(21)19-9-10-22-16-11-20-15-4-2-1-3-14(15)16/h1-8,11,20H,9-10H2,(H,19,21)
InChIKeyXTIGEMKJZGDAFS-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.34
Rot. Bonds5

About 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide

4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide (PubChem CID 2156385) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide
PubChem CID2156385
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSc1c[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2OS/c18-13-7-5-12(6-8-13)17(21)19-9-10-22-16-11-20-15-4-2-1-3-14(15)16/h1-8,11,20H,9-10H2,(H,19,21)
InChIKeyXTIGEMKJZGDAFS-UHFFFAOYSA-N
XLogP4.34
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide 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-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide (CID 2156385) is 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide is O=C(NCCSc1c[nH]c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide?
The InChIKey is XTIGEMKJZGDAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c18-13-7-5-12(6-8-13)17(21)19-9-10-22-16-11-20-15-4-2-1-3-14(15)16/h1-8,11,20H,9-10H2,(H,19,21).
What are the key properties of 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide?
4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide has a molecular weight of 330.84 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 2156385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).