6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole

C16H14N4O2S — CID 58955124

IUPAC6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole
SMILES[N-]=[N+]=NCCc1ccc2c(S(=O)(=O)c3ccccc3)c[nH]c2c1
InChIInChI=1S/C16H14N4O2S/c17-20-19-9-8-12-6-7-14-15(10-12)18-11-16(14)23(21,22)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9H2
InChIKeyXOBAAQKQFWNUOY-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.85
Rot. Bonds5

About 6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole

6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole (PubChem CID 58955124) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole.

Molecular Properties

Compound Name6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole
PubChem CID58955124
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole
SMILES[N-]=[N+]=NCCc1ccc2c(S(=O)(=O)c3ccccc3)c[nH]c2c1
InChIInChI=1S/C16H14N4O2S/c17-20-19-9-8-12-6-7-14-15(10-12)18-11-16(14)23(21,22)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9H2
InChIKeyXOBAAQKQFWNUOY-UHFFFAOYSA-N
XLogP3.85
TPSA98.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole 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

sodium;5-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole;2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethyl 4-methylbenzenesulfonate;azide
CID 159712206
3-(benzenesulfonyl)-6-(2-piperidin-1-ylethyl)-1H-indole
CID 24860772
2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol
CID 58955092
methyl 2-[2-[3-(benzenesulfonyl)-1H-indol-6-yl]ethyl]-4-methylbenzenesulfonate
CID 87541969
2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine
CID 24861016
3-(benzenesulfonyl)-5-chloro-1H-indole
CID 54518523
2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol;2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethyl 4-methylbenzenesulfonate
CID 158133431
amino (E)-3-[3-(benzenesulfonyl)-1H-indol-6-yl]prop-2-enoate
CID 67562890
3-(benzenesulfonyl)-1H-quinolin-4-one
CID 6619653
2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine;methyl N-[2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethyl]-N-methylcarbamate
CID 159214323
2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
CID 11358502
1-(2-azidoethyl)-4-fluorobenzene
CID 59667428

Frequently Asked Questions

What is the IUPAC name of 6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole?
The IUPAC name of 6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole (CID 58955124) is 6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole.
What is the SMILES notation for 6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole?
The canonical SMILES for 6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole is [N-]=[N+]=NCCc1ccc2c(S(=O)(=O)c3ccccc3)c[nH]c2c1.
What is the InChIKey of 6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole?
The InChIKey is XOBAAQKQFWNUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c17-20-19-9-8-12-6-7-14-15(10-12)18-11-16(14)23(21,22)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9H2.
What are the key properties of 6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole?
6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole has a molecular weight of 326.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole is sourced from PubChem (CID 58955124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).