1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone

C14H9BrCl2O3S — CID 64635956

IUPAC1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone
SMILESO=C(CS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1Br
InChIInChI=1S/C14H9BrCl2O3S/c15-10-5-2-1-4-9(10)13(18)8-21(19,20)14-11(16)6-3-7-12(14)17/h1-7H,8H2
InChIKeyCVBCXGZSFUXJKQ-UHFFFAOYSA-N
MW408.10 g/mol
LogP4.41
Rot. Bonds4

About 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone

1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone (PubChem CID 64635956) has the molecular formula C14H9BrCl2O3S and a molecular weight of 408.10 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone
PubChem CID64635956
Molecular FormulaC14H9BrCl2O3S
Molecular Weight408.10 g/mol
Exact Mass405.88
IUPAC Name1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone
SMILESO=C(CS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1Br
InChIInChI=1S/C14H9BrCl2O3S/c15-10-5-2-1-4-9(10)13(18)8-21(19,20)14-11(16)6-3-7-12(14)17/h1-7H,8H2
InChIKeyCVBCXGZSFUXJKQ-UHFFFAOYSA-N
XLogP4.41
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.10
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone
CID 64637707
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanone
CID 974035
1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone
CID 60624762
(2-bromobenzoyl) 2-chlorobenzoate
CID 88812522
1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone
CID 60650724
1-[1-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(2,6-dichlorophenyl)sulfonylethanone
CID 159619820
1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one
CID 64635390
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone
CID 43231190
2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride
CID 117269099
2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
2-bromo-6-chloro-N-prop-2-ynylbenzenesulfonamide
CID 130506038

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone (CID 64635956) is 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone is O=C(CS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone?
The InChIKey is CVBCXGZSFUXJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O3S/c15-10-5-2-1-4-9(10)13(18)8-21(19,20)14-11(16)6-3-7-12(14)17/h1-7H,8H2.
What are the key properties of 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone?
1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone has a molecular weight of 408.10 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(2,6-dichlorophenyl)sulfonylethanone is sourced from PubChem (CID 64635956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).