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

C16H16N2O2S — CID 11358502

IUPAC2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(S(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C16H16N2O2S/c17-9-8-12-11-18-16-7-6-14(10-15(12)16)21(19,20)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9,17H2
InChIKeyXRJTXMUXFPOSCS-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.50
Rot. Bonds4

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

2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine (PubChem CID 11358502) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
PubChem CID11358502
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(S(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C16H16N2O2S/c17-9-8-12-11-18-16-7-6-14(10-15(12)16)21(19,20)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9,17H2
InChIKeyXRJTXMUXFPOSCS-UHFFFAOYSA-N
XLogP2.50
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethyl]carbamate
CID 10135626
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
2-[5-(benzenesulfonyl)-2-methyl-1H-indol-3-yl]ethanamine;hydrochloride
CID 18522758
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
[5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol
CID 174688128
5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine
CID 143126047
1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine
CID 12575718
1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 13286067
[5-(benzenesulfonyl)-1H-indol-3-yl] formate
CID 174464027
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905

Frequently Asked Questions

What is the IUPAC name of 2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine (CID 11358502) is 2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2ccc(S(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of 2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine?
The InChIKey is XRJTXMUXFPOSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c17-9-8-12-11-18-16-7-6-14(10-15(12)16)21(19,20)13-4-2-1-3-5-13/h1-7,10-11,18H,8-9,17H2.
What are the key properties of 2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine?
2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine has a molecular weight of 300.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 11358502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).