2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine

C17H18N2O3S — CID 23655464

IUPAC2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine
SMILESCOc1ccc(S(=O)(=O)n2cc(CCN)c3ccccc32)cc1
InChIInChI=1S/C17H18N2O3S/c1-22-14-6-8-15(9-7-14)23(20,21)19-12-13(10-11-18)16-4-2-3-5-17(16)19/h2-9,12H,10-11,18H2,1H3
InChIKeyOVZXCGMNEBKQBZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.39
Rot. Bonds5

About 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine

2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine (PubChem CID 23655464) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine
PubChem CID23655464
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine
SMILESCOc1ccc(S(=O)(=O)n2cc(CCN)c3ccccc32)cc1
InChIInChI=1S/C17H18N2O3S/c1-22-14-6-8-15(9-7-14)23(20,21)19-12-13(10-11-18)16-4-2-3-5-17(16)19/h2-9,12H,10-11,18H2,1H3
InChIKeyOVZXCGMNEBKQBZ-UHFFFAOYSA-N
XLogP2.39
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine (CID 23655464) is 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine is COc1ccc(S(=O)(=O)n2cc(CCN)c3ccccc32)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine?
The InChIKey is OVZXCGMNEBKQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-22-14-6-8-15(9-7-14)23(20,21)19-12-13(10-11-18)16-4-2-3-5-17(16)19/h2-9,12H,10-11,18H2,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine?
2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine has a molecular weight of 330.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]ethanamine is sourced from PubChem (CID 23655464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).