N-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride

C19H23ClN2O2S — CID 18522777

IUPACN-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride
SMILESCNCCc1cn(C)c2ccc(S(=O)(=O)c3ccc(C)cc3)cc12.Cl
InChIInChI=1S/C19H22N2O2S.ClH/c1-14-4-6-16(7-5-14)24(22,23)17-8-9-19-18(12-17)15(10-11-20-2)13-21(19)3;/h4-9,12-13,20H,10-11H2,1-3H3;1H
InChIKeyJYMHAEHAEKTFSS-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.50
Rot. Bonds5

About N-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride

N-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride (PubChem CID 18522777) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is N-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride
PubChem CID18522777
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC NameN-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride
SMILESCNCCc1cn(C)c2ccc(S(=O)(=O)c3ccc(C)cc3)cc12.Cl
InChIInChI=1S/C19H22N2O2S.ClH/c1-14-4-6-16(7-5-14)24(22,23)17-8-9-19-18(12-17)15(10-11-20-2)13-21(19)3;/h4-9,12-13,20H,10-11H2,1-3H3;1H
InChIKeyJYMHAEHAEKTFSS-UHFFFAOYSA-N
XLogP3.50
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2475352
Dansyltryptamine
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4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride (CID 18522777) is N-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride is CNCCc1cn(C)c2ccc(S(=O)(=O)c3ccc(C)cc3)cc12.Cl.
What is the InChIKey of N-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride?
The InChIKey is JYMHAEHAEKTFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S.ClH/c1-14-4-6-16(7-5-14)24(22,23)17-8-9-19-18(12-17)15(10-11-20-2)13-21(19)3;/h4-9,12-13,20H,10-11H2,1-3H3;1H.
What are the key properties of N-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride?
N-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride has a molecular weight of 378.93 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-methyl-5-(4-methylphenyl)sulfonylindol-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 18522777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).