2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone

C17H14BrNOS — CID 110656775

IUPAC2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CSc2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C17H14BrNOS/c1-19-10-15(14-4-2-3-5-16(14)19)17(20)11-21-13-8-6-12(18)7-9-13/h2-10H,11H2,1H3
InChIKeyAOCSUSQEXCZZMQ-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.92
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone

2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone (PubChem CID 110656775) has the molecular formula C17H14BrNOS and a molecular weight of 360.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone
PubChem CID110656775
Molecular FormulaC17H14BrNOS
Molecular Weight360.28 g/mol
Exact Mass359.00
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CSc2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C17H14BrNOS/c1-19-10-15(14-4-2-3-5-16(14)19)17(20)11-21-13-8-6-12(18)7-9-13/h2-10H,11H2,1H3
InChIKeyAOCSUSQEXCZZMQ-UHFFFAOYSA-N
XLogP4.92
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone (CID 110656775) is 2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone is Cn1cc(C(=O)CSc2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone?
The InChIKey is AOCSUSQEXCZZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNOS/c1-19-10-15(14-4-2-3-5-16(14)19)17(20)11-21-13-8-6-12(18)7-9-13/h2-10H,11H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone?
2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone has a molecular weight of 360.28 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 110656775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).