2-(4-bromophenyl)sulfonyl-1-phenylethanone

C14H11BrO3S — CID 765822

IUPAC2-(4-bromophenyl)sulfonyl-1-phenylethanone
SMILESO=C(CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H11BrO3S/c15-12-6-8-13(9-7-12)19(17,18)10-14(16)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyPHPOLUOITVXUKO-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-bromophenyl)sulfonyl-1-phenylethanone

2-(4-bromophenyl)sulfonyl-1-phenylethanone (PubChem CID 765822) has the molecular formula C14H11BrO3S and a molecular weight of 339.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-1-phenylethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-1-phenylethanone
PubChem CID765822
Molecular FormulaC14H11BrO3S
Molecular Weight339.21 g/mol
Exact Mass337.96
IUPAC Name2-(4-bromophenyl)sulfonyl-1-phenylethanone
SMILESO=C(CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H11BrO3S/c15-12-6-8-13(9-7-12)19(17,18)10-14(16)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyPHPOLUOITVXUKO-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-[4-[(4-phenacylsulfonylphenyl)methyl]phenyl]sulfonyl-1-phenylethanone
CID 4607170
2-(3-bromophenyl)sulfonyl-1-phenylethanone
CID 64635813
2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone
CID 62917038
1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone
CID 7342256
2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone
CID 64643722
2-(benzenesulfonyl)-1-phenylethanone;fluoroform
CID 175573425
1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone
CID 64636377
1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
CID 102266574
2-(4-nitrophenyl)sulfonyl-1-phenylethanone
CID 11088058
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
2-(4-bromophenyl)sulfonylacetate
CID 7744989
phenacyl 4-bromobenzenesulfonate
CID 71336543

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-1-phenylethanone?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-1-phenylethanone (CID 765822) is 2-(4-bromophenyl)sulfonyl-1-phenylethanone.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-1-phenylethanone?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-1-phenylethanone is O=C(CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-1-phenylethanone?
The InChIKey is PHPOLUOITVXUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3S/c15-12-6-8-13(9-7-12)19(17,18)10-14(16)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-(4-bromophenyl)sulfonyl-1-phenylethanone?
2-(4-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-(4-bromophenyl)sulfonyl-1-phenylethanone is sourced from PubChem (CID 765822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).