N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide

C20H24N2O2S — CID 113086252

IUPACN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(C)cc23)c(C)c1
InChIInChI=1S/C20H24N2O2S/c1-13-6-8-20(15(3)11-13)25(23,24)21-10-9-17-16(4)22-19-7-5-14(2)12-18(17)19/h5-8,11-12,21-22H,9-10H2,1-4H3
InChIKeyJMOYEHSWGQOWRB-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.92
Rot. Bonds5

About N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide

N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 113086252) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
PubChem CID113086252
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(C)cc23)c(C)c1
InChIInChI=1S/C20H24N2O2S/c1-13-6-8-20(15(3)11-13)25(23,24)21-10-9-17-16(4)22-19-7-5-14(2)12-18(17)19/h5-8,11-12,21-22H,9-10H2,1-4H3
InChIKeyJMOYEHSWGQOWRB-UHFFFAOYSA-N
XLogP3.92
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide 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

N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 3314633
5-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]thiophene-2-sulfonamide
CID 113086266
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113086277
4-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methoxybenzenesulfonamide
CID 1260172
2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3419914
2,5-dimethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 15944031
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113085965
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113083697
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
CID 1261012
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide
CID 113086047
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-tert-butylbenzenesulfonamide
CID 1260202
2,4-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113085538

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide (CID 113086252) is N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(C)cc23)c(C)c1.
What is the InChIKey of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is JMOYEHSWGQOWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-13-6-8-20(15(3)11-13)25(23,24)21-10-9-17-16(4)22-19-7-5-14(2)12-18(17)19/h5-8,11-12,21-22H,9-10H2,1-4H3.
What are the key properties of N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide?
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113086252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).