2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone

C14H13BrO3S2 — CID 64642580

IUPAC2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CS(=O)(=O)c2ccccc2Br)s1
InChIInChI=1S/C14H13BrO3S2/c1-2-10-7-8-13(19-10)12(16)9-20(17,18)14-6-4-3-5-11(14)15/h3-8H,2,9H2,1H3
InChIKeyVJRUWHFHMQZVTO-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.73
Rot. Bonds5

About 2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone

2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 64642580) has the molecular formula C14H13BrO3S2 and a molecular weight of 373.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID64642580
Molecular FormulaC14H13BrO3S2
Molecular Weight373.29 g/mol
Exact Mass371.95
IUPAC Name2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CS(=O)(=O)c2ccccc2Br)s1
InChIInChI=1S/C14H13BrO3S2/c1-2-10-7-8-13(19-10)12(16)9-20(17,18)14-6-4-3-5-11(14)15/h3-8H,2,9H2,1H3
InChIKeyVJRUWHFHMQZVTO-UHFFFAOYSA-N
XLogP3.73
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone (CID 64642580) is 2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CS(=O)(=O)c2ccccc2Br)s1.
What is the InChIKey of 2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is VJRUWHFHMQZVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3S2/c1-2-10-7-8-13(19-10)12(16)9-20(17,18)14-6-4-3-5-11(14)15/h3-8H,2,9H2,1H3.
What are the key properties of 2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone?
2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 373.29 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfonyl-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 64642580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).