N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide

C22H20N2O2S — CID 3865113

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O2S/c25-27(26,20-12-10-18(11-13-20)17-6-2-1-3-7-17)24-15-14-19-16-23-22-9-5-4-8-21(19)22/h1-13,16,23-24H,14-15H2
InChIKeyAJLYDILJAAYXLO-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.36
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide

N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide (PubChem CID 3865113) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide
PubChem CID3865113
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O2S/c25-27(26,20-12-10-18(11-13-20)17-6-2-1-3-7-17)24-15-14-19-16-23-22-9-5-4-8-21(19)22/h1-13,16,23-24H,14-15H2
InChIKeyAJLYDILJAAYXLO-UHFFFAOYSA-N
XLogP4.36
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide 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 N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide (CID 3865113) is N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide is O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide?
The InChIKey is AJLYDILJAAYXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c25-27(26,20-12-10-18(11-13-20)17-6-2-1-3-7-17)24-15-14-19-16-23-22-9-5-4-8-21(19)22/h1-13,16,23-24H,14-15H2.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide?
N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 3865113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).