1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone

C16H11Br2NOS — CID 127032925

IUPAC1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(Br)cc1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H11Br2NOS/c17-10-1-4-12(5-2-10)21-9-16(20)14-8-19-15-6-3-11(18)7-13(14)15/h1-8,19H,9H2
InChIKeyJRCZLGYDZZNNCB-UHFFFAOYSA-N
MW425.15 g/mol
LogP5.67
Rot. Bonds4

About 1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone

1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone (PubChem CID 127032925) has the molecular formula C16H11Br2NOS and a molecular weight of 425.15 g/mol. Its IUPAC name is 1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone
PubChem CID127032925
Molecular FormulaC16H11Br2NOS
Molecular Weight425.15 g/mol
Exact Mass422.89
IUPAC Name1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(Br)cc1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H11Br2NOS/c17-10-1-4-12(5-2-10)21-9-16(20)14-8-19-15-6-3-11(18)7-13(14)15/h1-8,19H,9H2
InChIKeyJRCZLGYDZZNNCB-UHFFFAOYSA-N
XLogP5.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.15
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromoindole-3-carbaldehyde
CID 70137
1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone
CID 753522
(E)-3-(5-bromo-1H-indol-3-yl)-1-(4-bromophenyl)-2-(4-methylphenyl)sulfanylprop-2-en-1-one
CID 24957419
(E)-3-(5-bromo-1H-indol-3-yl)-1-(4-chlorophenyl)-2-[(4-methylphenyl)methylsulfanyl]prop-2-en-1-one
CID 24959651
(E)-1-(4-bromophenyl)-2-(4-bromophenyl)sulfanyl-3-(1H-indol-3-yl)prop-2-en-1-one
CID 24961108
(E)-3-(5-bromo-1H-indol-3-yl)-1-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylprop-2-en-1-one
CID 24962196
(E)-3-(5-bromo-1H-indol-3-yl)-1-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]prop-2-en-1-one
CID 52943261
1-(5-Bromo-1H-indol-3-yl)ethanone
CID 12137098
N-(4-bromophenyl)-2-[3-(2-thienylcarbonyl)-1H-indol-1-yl]acetamide
CID 2203291
(6-Bromo-1H-indol-3-yl)-((R)-2-pyridin-3-yl-thiazolidin-4-yl)-methanone
CID 10452837
2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-methylsulfanyl-phenyl)-3H-quinazolin-4-one
CID 14843043
2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(4-methylsulfanyl-phenyl)-3H-quinazolin-4-one
CID 14843051

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone?
The IUPAC name of 1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone (CID 127032925) is 1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone.
What is the SMILES notation for 1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone?
The canonical SMILES for 1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone is O=C(CSc1ccc(Br)cc1)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone?
The InChIKey is JRCZLGYDZZNNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NOS/c17-10-1-4-12(5-2-10)21-9-16(20)14-8-19-15-6-3-11(18)7-13(14)15/h1-8,19H,9H2.
What are the key properties of 1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone?
1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone has a molecular weight of 425.15 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indol-3-yl)-2-(4-bromophenyl)sulfanylethanone is sourced from PubChem (CID 127032925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).