[4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium

C14H17N4O2STl — CID 143417041

IUPAC[4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium
SMILESCS(=O)(=O)Nc1ccc2c(c1)N(CCc1cn([Tl])cn1)CC2
InChIInChI=1S/C14H17N4O2S.Tl/c1-21(19,20)17-12-3-2-11-4-6-18(14(11)8-12)7-5-13-9-15-10-16-13;/h2-3,8-10,17H,4-7H2,1H3;/q-1;+1
InChIKeyOJAYATCHXPGGLS-UHFFFAOYSA-N
MW509.77 g/mol
LogP0.79
Rot. Bonds5

About [4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium

[4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium (PubChem CID 143417041) has the molecular formula C14H17N4O2STl and a molecular weight of 509.77 g/mol. Its IUPAC name is [4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium.

Molecular Properties

Compound Name[4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium
PubChem CID143417041
Molecular FormulaC14H17N4O2STl
Molecular Weight509.77 g/mol
Exact Mass510.08
IUPAC Name[4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium
SMILESCS(=O)(=O)Nc1ccc2c(c1)N(CCc1cn([Tl])cn1)CC2
InChIInChI=1S/C14H17N4O2S.Tl/c1-21(19,20)17-12-3-2-11-4-6-18(14(11)8-12)7-5-13-9-15-10-16-13;/h2-3,8-10,17H,4-7H2,1H3;/q-1;+1
InChIKeyOJAYATCHXPGGLS-UHFFFAOYSA-N
XLogP0.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.77
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium 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-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide
CID 59468725
N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine
CID 59468770
N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
CID 59468746
N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide
CID 75534700
N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide
CID 71918240
5-(methanesulfonamido)-2-(4-methylpiperazin-1-yl)benzoic acid
CID 50766134
N,1-dipentyl-2,3-dihydroindol-6-amine
CID 70410805
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16820558
N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 71918236
3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide
CID 166261429
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
1-[6-(propylsulfamoylamino)-2,3-dihydroindol-1-yl]ethanone
CID 110627257

Frequently Asked Questions

What is the IUPAC name of [4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium?
The IUPAC name of [4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium (CID 143417041) is [4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium.
What is the SMILES notation for [4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium?
The canonical SMILES for [4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium is CS(=O)(=O)Nc1ccc2c(c1)N(CCc1cn([Tl])cn1)CC2.
What is the InChIKey of [4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium?
The InChIKey is OJAYATCHXPGGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N4O2S.Tl/c1-21(19,20)17-12-3-2-11-4-6-18(14(11)8-12)7-5-13-9-15-10-16-13;/h2-3,8-10,17H,4-7H2,1H3;/q-1;+1.
What are the key properties of [4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium?
[4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium has a molecular weight of 509.77 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium is sourced from PubChem (CID 143417041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).