5-(2-bromophenyl)sulfonylpentan-2-one

C11H13BrO3S — CID 64641819

IUPAC5-(2-bromophenyl)sulfonylpentan-2-one
SMILESCC(=O)CCCS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H13BrO3S/c1-9(13)5-4-8-16(14,15)11-7-3-2-6-10(11)12/h2-3,6-7H,4-5,8H2,1H3
InChIKeyNUTDKHQLPRMOJS-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.59
Rot. Bonds5

About 5-(2-bromophenyl)sulfonylpentan-2-one

5-(2-bromophenyl)sulfonylpentan-2-one (PubChem CID 64641819) has the molecular formula C11H13BrO3S and a molecular weight of 305.19 g/mol. Its IUPAC name is 5-(2-bromophenyl)sulfonylpentan-2-one.

Molecular Properties

Compound Name5-(2-bromophenyl)sulfonylpentan-2-one
PubChem CID64641819
Molecular FormulaC11H13BrO3S
Molecular Weight305.19 g/mol
Exact Mass303.98
IUPAC Name5-(2-bromophenyl)sulfonylpentan-2-one
SMILESCC(=O)CCCS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H13BrO3S/c1-9(13)5-4-8-16(14,15)11-7-3-2-6-10(11)12/h2-3,6-7H,4-5,8H2,1H3
InChIKeyNUTDKHQLPRMOJS-UHFFFAOYSA-N
XLogP2.59
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)sulfonylpentan-2-one?
The IUPAC name of 5-(2-bromophenyl)sulfonylpentan-2-one (CID 64641819) is 5-(2-bromophenyl)sulfonylpentan-2-one.
What is the SMILES notation for 5-(2-bromophenyl)sulfonylpentan-2-one?
The canonical SMILES for 5-(2-bromophenyl)sulfonylpentan-2-one is CC(=O)CCCS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)sulfonylpentan-2-one?
The InChIKey is NUTDKHQLPRMOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3S/c1-9(13)5-4-8-16(14,15)11-7-3-2-6-10(11)12/h2-3,6-7H,4-5,8H2,1H3.
What are the key properties of 5-(2-bromophenyl)sulfonylpentan-2-one?
5-(2-bromophenyl)sulfonylpentan-2-one has a molecular weight of 305.19 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)sulfonylpentan-2-one is sourced from PubChem (CID 64641819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).