2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine

C14H13BrN2O2S2 — CID 23655469

IUPAC2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2ccc(Br)s2)c2ccccc12
InChIInChI=1S/C14H13BrN2O2S2/c15-13-5-6-14(20-13)21(18,19)17-9-10(7-8-16)11-3-1-2-4-12(11)17/h1-6,9H,7-8,16H2
InChIKeyHZYPTAOCUMMUQM-UHFFFAOYSA-N
MW385.31 g/mol
LogP3.20
Rot. Bonds4

About 2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine

2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine (PubChem CID 23655469) has the molecular formula C14H13BrN2O2S2 and a molecular weight of 385.31 g/mol. Its IUPAC name is 2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine
PubChem CID23655469
Molecular FormulaC14H13BrN2O2S2
Molecular Weight385.31 g/mol
Exact Mass383.96
IUPAC Name2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2ccc(Br)s2)c2ccccc12
InChIInChI=1S/C14H13BrN2O2S2/c15-13-5-6-14(20-13)21(18,19)17-9-10(7-8-16)11-3-1-2-4-12(11)17/h1-6,9H,7-8,16H2
InChIKeyHZYPTAOCUMMUQM-UHFFFAOYSA-N
XLogP3.20
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine (CID 23655469) is 2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine is NCCc1cn(S(=O)(=O)c2ccc(Br)s2)c2ccccc12.
What is the InChIKey of 2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine?
The InChIKey is HZYPTAOCUMMUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S2/c15-13-5-6-14(20-13)21(18,19)17-9-10(7-8-16)11-3-1-2-4-12(11)17/h1-6,9H,7-8,16H2.
What are the key properties of 2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine?
2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine has a molecular weight of 385.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromothiophen-2-yl)sulfonylindol-3-yl]ethanamine is sourced from PubChem (CID 23655469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).