2,4-dibromo-1-propylsulfonylbenzene

C9H10Br2O2S — CID 123878797

IUPAC2,4-dibromo-1-propylsulfonylbenzene
SMILESCCCS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C9H10Br2O2S/c1-2-5-14(12,13)9-4-3-7(10)6-8(9)11/h3-4,6H,2,5H2,1H3
InChIKeyOJGNPUNYPPFNFV-UHFFFAOYSA-N
MW342.05 g/mol
LogP3.40
Rot. Bonds3

About 2,4-dibromo-1-propylsulfonylbenzene

2,4-dibromo-1-propylsulfonylbenzene (PubChem CID 123878797) has the molecular formula C9H10Br2O2S and a molecular weight of 342.05 g/mol. Its IUPAC name is 2,4-dibromo-1-propylsulfonylbenzene.

Molecular Properties

Compound Name2,4-dibromo-1-propylsulfonylbenzene
PubChem CID123878797
Molecular FormulaC9H10Br2O2S
Molecular Weight342.05 g/mol
Exact Mass339.88
IUPAC Name2,4-dibromo-1-propylsulfonylbenzene
SMILESCCCS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C9H10Br2O2S/c1-2-5-14(12,13)9-4-3-7(10)6-8(9)11/h3-4,6H,2,5H2,1H3
InChIKeyOJGNPUNYPPFNFV-UHFFFAOYSA-N
XLogP3.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.05
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-propylsulfonylbenzene
CID 54596100
3-bromo-4-(2-propylsulfonylethylsulfonyl)aniline
CID 106735841
4-bromo-3-propylsulfonylbenzenesulfonamide
CID 54596102
2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid
CID 60824677
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
3-bromo-4-(2-butoxyethylsulfonyl)aniline
CID 82834213
2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 61059668
N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide
CID 65192509
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059201
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 60531054
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 54922280

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-propylsulfonylbenzene?
The IUPAC name of 2,4-dibromo-1-propylsulfonylbenzene (CID 123878797) is 2,4-dibromo-1-propylsulfonylbenzene.
What is the SMILES notation for 2,4-dibromo-1-propylsulfonylbenzene?
The canonical SMILES for 2,4-dibromo-1-propylsulfonylbenzene is CCCS(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-propylsulfonylbenzene?
The InChIKey is OJGNPUNYPPFNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2O2S/c1-2-5-14(12,13)9-4-3-7(10)6-8(9)11/h3-4,6H,2,5H2,1H3.
What are the key properties of 2,4-dibromo-1-propylsulfonylbenzene?
2,4-dibromo-1-propylsulfonylbenzene has a molecular weight of 342.05 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-propylsulfonylbenzene is sourced from PubChem (CID 123878797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).