2-(3-bromophenyl)sulfonyl-1-phenylethanone

C14H11BrO3S — CID 64635813

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

About 2-(3-bromophenyl)sulfonyl-1-phenylethanone

2-(3-bromophenyl)sulfonyl-1-phenylethanone (PubChem CID 64635813) has the molecular formula C14H11BrO3S and a molecular weight of 339.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfonyl-1-phenylethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfonyl-1-phenylethanone
PubChem CID64635813
Molecular FormulaC14H11BrO3S
Molecular Weight339.21 g/mol
Exact Mass337.96
IUPAC Name2-(3-bromophenyl)sulfonyl-1-phenylethanone
SMILESO=C(CS(=O)(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C14H11BrO3S/c15-12-7-4-8-13(9-12)19(17,18)10-14(16)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyDYTSJXRPVDNAOR-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

1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone
CID 64636377
2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone
CID 62917038
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone
CID 64637707
2-(benzenesulfonyl)-1-phenylethanone;fluoroform
CID 175573425
1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone
CID 7342256
2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone
CID 64637513
2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone
CID 64637514
1-(4-bromophenyl)-2-(3-methoxyphenyl)sulfonylethanone
CID 64641583
2-[4-[(4-phenacylsulfonylphenyl)methyl]phenyl]sulfonyl-1-phenylethanone
CID 4607170
1-bromo-3-(2-phenylethylsulfonyl)benzene
CID 67134245
2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone
CID 1116105

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfonyl-1-phenylethanone?
The IUPAC name of 2-(3-bromophenyl)sulfonyl-1-phenylethanone (CID 64635813) is 2-(3-bromophenyl)sulfonyl-1-phenylethanone.
What is the SMILES notation for 2-(3-bromophenyl)sulfonyl-1-phenylethanone?
The canonical SMILES for 2-(3-bromophenyl)sulfonyl-1-phenylethanone is O=C(CS(=O)(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 2-(3-bromophenyl)sulfonyl-1-phenylethanone?
The InChIKey is DYTSJXRPVDNAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3S/c15-12-7-4-8-13(9-12)19(17,18)10-14(16)11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of 2-(3-bromophenyl)sulfonyl-1-phenylethanone?
2-(3-bromophenyl)sulfonyl-1-phenylethanone 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-(3-bromophenyl)sulfonyl-1-phenylethanone is sourced from PubChem (CID 64635813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).