1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone

C14H10Br2O3S — CID 64636377

IUPAC1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone
SMILESO=C(CS(=O)(=O)c1cccc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H10Br2O3S/c15-11-6-4-10(5-7-11)14(17)9-20(18,19)13-3-1-2-12(16)8-13/h1-8H,9H2
InChIKeyPOGILYYVYCAZFB-UHFFFAOYSA-N
MW418.11 g/mol
LogP3.87
Rot. Bonds4

About 1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone

1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone (PubChem CID 64636377) has the molecular formula C14H10Br2O3S and a molecular weight of 418.11 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone
PubChem CID64636377
Molecular FormulaC14H10Br2O3S
Molecular Weight418.11 g/mol
Exact Mass415.87
IUPAC Name1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone
SMILESO=C(CS(=O)(=O)c1cccc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H10Br2O3S/c15-11-6-4-10(5-7-11)14(17)9-20(18,19)13-3-1-2-12(16)8-13/h1-8H,9H2
InChIKeyPOGILYYVYCAZFB-UHFFFAOYSA-N
XLogP3.87
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.11
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)sulfonyl-1-phenylethanone
CID 64635813
1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone
CID 64641583
2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone
CID 62917038
1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone
CID 7342256
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone
CID 64637707
2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone
CID 64637513
2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone
CID 64637514
2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone
CID 64643722
2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone
CID 106584676
3-bromo-4-[(3-bromophenyl)sulfonylmethyl]benzoic acid
CID 102766373
(3-bromophenyl)sulfonylmethyl acetate
CID 151243050

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone (CID 64636377) is 1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone is O=C(CS(=O)(=O)c1cccc(Br)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone?
The InChIKey is POGILYYVYCAZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O3S/c15-11-6-4-10(5-7-11)14(17)9-20(18,19)13-3-1-2-12(16)8-13/h1-8H,9H2.
What are the key properties of 1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone?
1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone has a molecular weight of 418.11 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone is sourced from PubChem (CID 64636377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).