1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine

C16H18N2O2S — CID 43106392

IUPAC1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
SMILESCC(N)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C16H18N2O2S/c1-12(17)13-6-8-15(9-7-13)21(19,20)18-11-10-14-4-2-3-5-16(14)18/h2-9,12H,10-11,17H2,1H3
InChIKeyASQQAUYFWHTAEK-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.46
Rot. Bonds3

About 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine

1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine (PubChem CID 43106392) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
PubChem CID43106392
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
SMILESCC(N)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C16H18N2O2S/c1-12(17)13-6-8-15(9-7-13)21(19,20)18-11-10-14-4-2-3-5-16(14)18/h2-9,12H,10-11,17H2,1H3
InChIKeyASQQAUYFWHTAEK-UHFFFAOYSA-N
XLogP2.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
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CID 5010201
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine (CID 43106392) is 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine is CC(N)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine?
The InChIKey is ASQQAUYFWHTAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12(17)13-6-8-15(9-7-13)21(19,20)18-11-10-14-4-2-3-5-16(14)18/h2-9,12H,10-11,17H2,1H3.
What are the key properties of 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine?
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine has a molecular weight of 302.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine is sourced from PubChem (CID 43106392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).