1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride

C19H24ClN3O2S — CID 13286067

IUPAC1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride
SMILESCl.NCCc1c[nH]c2ccc(CS(=O)(=O)NCCc3ccccc3)cc12
InChIInChI=1S/C19H23N3O2S.ClH/c20-10-8-17-13-21-19-7-6-16(12-18(17)19)14-25(23,24)22-11-9-15-4-2-1-3-5-15;/h1-7,12-13,21-22H,8-11,14,20H2;1H
InChIKeyULRKENKOBAZXFD-UHFFFAOYSA-N
MW393.94 g/mol
LogP2.75
Rot. Bonds8

About 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride

1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride (PubChem CID 13286067) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride
PubChem CID13286067
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride
SMILESCl.NCCc1c[nH]c2ccc(CS(=O)(=O)NCCc3ccccc3)cc12
InChIInChI=1S/C19H23N3O2S.ClH/c20-10-8-17-13-21-19-7-6-16(12-18(17)19)14-25(23,24)22-11-9-15-4-2-1-3-5-15;/h1-7,12-13,21-22H,8-11,14,20H2;1H
InChIKeyULRKENKOBAZXFD-UHFFFAOYSA-N
XLogP2.75
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one
CID 19752560
benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate
CID 14555103
N-methyl-1-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methanesulfonamide
CID 10826690
2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
CID 11358502
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione
CID 67855202
N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine
CID 84760927
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 10660550
5-[5-[2-(benzenesulfonyl)ethyl]-1H-indol-3-yl]pentan-1-amine
CID 143126047
N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 24989478
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride (CID 13286067) is 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride is Cl.NCCc1c[nH]c2ccc(CS(=O)(=O)NCCc3ccccc3)cc12.
What is the InChIKey of 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride?
The InChIKey is ULRKENKOBAZXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S.ClH/c20-10-8-17-13-21-19-7-6-16(12-18(17)19)14-25(23,24)22-11-9-15-4-2-1-3-5-15;/h1-7,12-13,21-22H,8-11,14,20H2;1H.
What are the key properties of 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride?
1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 13286067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).