6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione

C14H7Br2NO3S — CID 62024815

IUPAC6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione
SMILESO=C(CN1C(=O)C(=O)c2ccc(Br)cc21)c1ccc(Br)s1
InChIInChI=1S/C14H7Br2NO3S/c15-7-1-2-8-9(5-7)17(14(20)13(8)19)6-10(18)11-3-4-12(16)21-11/h1-5H,6H2
InChIKeyLOXXIKXCQBOGFA-UHFFFAOYSA-N
MW429.09 g/mol
LogP3.69
Rot. Bonds3

About 6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione

6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione (PubChem CID 62024815) has the molecular formula C14H7Br2NO3S and a molecular weight of 429.09 g/mol. Its IUPAC name is 6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione.

Molecular Properties

Compound Name6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione
PubChem CID62024815
Molecular FormulaC14H7Br2NO3S
Molecular Weight429.09 g/mol
Exact Mass426.85
IUPAC Name6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione
SMILESO=C(CN1C(=O)C(=O)c2ccc(Br)cc21)c1ccc(Br)s1
InChIInChI=1S/C14H7Br2NO3S/c15-7-1-2-8-9(5-7)17(14(20)13(8)19)6-10(18)11-3-4-12(16)21-11/h1-5H,6H2
InChIKeyLOXXIKXCQBOGFA-UHFFFAOYSA-N
XLogP3.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.09
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione
CID 62025188
4-(6-bromo-2,3-dioxoindol-1-yl)butanoic acid
CID 18072187
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-ethylimidazolidine-2,4,5-trione
CID 7824253
2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
CID 60707228
2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide
CID 141415197
6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione
CID 63774946
2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide
CID 29299798
6-bromo-1-but-2-ynylindole-2,3-dione
CID 62309363
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 60624814
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 62017494
6-bromo-1-(4-methylpentyl)indole-2,3-dione
CID 83158009
1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-6-chloroindole-2,3-dione
CID 62023850

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione?
The IUPAC name of 6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione (CID 62024815) is 6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione.
What is the SMILES notation for 6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione?
The canonical SMILES for 6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione is O=C(CN1C(=O)C(=O)c2ccc(Br)cc21)c1ccc(Br)s1.
What is the InChIKey of 6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione?
The InChIKey is LOXXIKXCQBOGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Br2NO3S/c15-7-1-2-8-9(5-7)17(14(20)13(8)19)6-10(18)11-3-4-12(16)21-11/h1-5H,6H2.
What are the key properties of 6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione?
6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione has a molecular weight of 429.09 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione is sourced from PubChem (CID 62024815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).