2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone

C14H11BrO3S — CID 62917038

IUPAC2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H11BrO3S/c15-12-6-4-5-11(9-12)14(16)10-19(17,18)13-7-2-1-3-8-13/h1-9H,10H2
InChIKeyXERJHQVNTKCZGG-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.11
Rot. Bonds4

About 2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone

2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone (PubChem CID 62917038) has the molecular formula C14H11BrO3S and a molecular weight of 339.21 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone
PubChem CID62917038
Molecular FormulaC14H11BrO3S
Molecular Weight339.21 g/mol
Exact Mass337.96
IUPAC Name2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H11BrO3S/c15-12-6-4-5-11(9-12)14(16)10-19(17,18)13-7-2-1-3-8-13/h1-9H,10H2
InChIKeyXERJHQVNTKCZGG-UHFFFAOYSA-N
XLogP3.11
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)sulfonyl-1-phenylethanone
CID 64635813
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone
CID 64636377
2-(benzenesulfonyl)-1-phenylethanone;fluoroform
CID 175573425
2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone
CID 64637707
2-(benzenesulfonyl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 62916683
2-[4-[(4-phenacylsulfonylphenyl)methyl]phenyl]sulfonyl-1-phenylethanone
CID 4607170
2-(benzenesulfonyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 975410
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
1-(3-bromophenyl)-2-iodoethanone
CID 22380807
3-(benzenesulfonyl)-2-oxopropanoic acid
CID 91929914
1-(3-bromophenyl)-2-phenylsulfanylethanone
CID 43413344

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone (CID 62917038) is 2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone is O=C(CS(=O)(=O)c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone?
The InChIKey is XERJHQVNTKCZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3S/c15-12-6-4-5-11(9-12)14(16)10-19(17,18)13-7-2-1-3-8-13/h1-9H,10H2.
What are the key properties of 2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone?
2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone has a molecular weight of 339.21 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone is sourced from PubChem (CID 62917038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).