3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide

C17H19N3O2S — CID 141103412

IUPAC3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H19N3O2S/c18-23(21,22)15-5-3-4-13(10-15)11-19-9-8-14-12-20-17-7-2-1-6-16(14)17/h1-7,10,12,19-20H,8-9,11H2,(H2,18,21,22)
InChIKeyCOAYDGFFHYPXTN-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.15
Rot. Bonds6

About 3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide

3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide (PubChem CID 141103412) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide
PubChem CID141103412
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H19N3O2S/c18-23(21,22)15-5-3-4-13(10-15)11-19-9-8-14-12-20-17-7-2-1-6-16(14)17/h1-7,10,12,19-20H,8-9,11H2,(H2,18,21,22)
InChIKeyCOAYDGFFHYPXTN-UHFFFAOYSA-N
XLogP2.15
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295021
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
2-(1H-indol-3-yl)-N-[(3-pyridin-3-ylphenyl)methyl]ethanamine
CID 150264043
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66407834
2-(1H-indol-3-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213616
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
(E)-3-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enal
CID 89259735
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea
CID 24650587
3-[(octylamino)methyl]benzenesulfonamide
CID 60860115

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide (CID 141103412) is 3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide is NS(=O)(=O)c1cccc(CNCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide?
The InChIKey is COAYDGFFHYPXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c18-23(21,22)15-5-3-4-13(10-15)11-19-9-8-14-12-20-17-7-2-1-6-16(14)17/h1-7,10,12,19-20H,8-9,11H2,(H2,18,21,22).
What are the key properties of 3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide?
3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1H-indol-3-yl)ethylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 141103412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).