2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine

C17H18N2O2S — CID 24861016

IUPAC2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine
SMILESCNCCc1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C17H18N2O2S/c1-18-10-9-13-7-8-16-15(11-13)17(12-19-16)22(20,21)14-5-3-2-4-6-14/h2-8,11-12,18-19H,9-10H2,1H3
InChIKeyBTTWNLYLXQORTP-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.76
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine

2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine (PubChem CID 24861016) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine
PubChem CID24861016
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine
SMILESCNCCc1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C17H18N2O2S/c1-18-10-9-13-7-8-16-15(11-13)17(12-19-16)22(20,21)14-5-3-2-4-6-14/h2-8,11-12,18-19H,9-10H2,1H3
InChIKeyBTTWNLYLXQORTP-UHFFFAOYSA-N
XLogP2.76
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine 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

2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine;methyl N-[2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethyl]-N-methylcarbamate
CID 159214323
2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol
CID 58955092
2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol;2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethyl 4-methylbenzenesulfonate
CID 158133431
3-(benzenesulfonyl)-5-chloro-1H-indole
CID 54518523
6-(2-azidoethyl)-3-(benzenesulfonyl)-1H-indole
CID 58955124
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
methyl 2-[2-[3-(benzenesulfonyl)-1H-indol-6-yl]ethyl]-4-methylbenzenesulfonate
CID 87541969
N-methyl-1-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methanesulfonamide
CID 10826690
3-(benzenesulfonyl)-1H-quinolin-4-one
CID 6619653
3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride
CID 69352721
6-ethyl-3-(4-methoxyphenyl)sulfonyl-1H-quinolin-4-one
CID 2137956

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine (CID 24861016) is 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine is CNCCc1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine?
The InChIKey is BTTWNLYLXQORTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-18-10-9-13-7-8-16-15(11-13)17(12-19-16)22(20,21)14-5-3-2-4-6-14/h2-8,11-12,18-19H,9-10H2,1H3.
What are the key properties of 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine?
2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine has a molecular weight of 314.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine is sourced from PubChem (CID 24861016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).