2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone

C14H9BrF2O3S — CID 64637514

IUPAC2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1cccc(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H9BrF2O3S/c15-9-2-1-3-11(6-9)21(19,20)8-14(18)12-7-10(16)4-5-13(12)17/h1-7H,8H2
InChIKeyRFGWYWLWYJGORY-UHFFFAOYSA-N
MW375.19 g/mol
LogP3.38
Rot. Bonds4

About 2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone

2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone (PubChem CID 64637514) has the molecular formula C14H9BrF2O3S and a molecular weight of 375.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone
PubChem CID64637514
Molecular FormulaC14H9BrF2O3S
Molecular Weight375.19 g/mol
Exact Mass373.94
IUPAC Name2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1cccc(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H9BrF2O3S/c15-9-2-1-3-11(6-9)21(19,20)8-14(18)12-7-10(16)4-5-13(12)17/h1-7H,8H2
InChIKeyRFGWYWLWYJGORY-UHFFFAOYSA-N
XLogP3.38
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)sulfonyl-1-(2-chlorophenyl)ethanone
CID 64637707
1-(4-bromophenyl)-2-(3-bromophenyl)sulfonylethanone
CID 64636377
2-(3-bromophenyl)sulfonyl-1-phenylethanone
CID 64635813
2-(3-bromophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60625676
2-(benzenesulfonyl)-1-(2-fluorophenyl)ethanone
CID 62917039
2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone
CID 62917038
2-(3-bromophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)ethanone
CID 64637513
2-[(3-bromophenyl)sulfonylmethyl]-4-fluoroaniline
CID 55119579
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(3-fluorophenyl)sulfonylethanone
CID 103740941
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone
CID 106584676
2-[(3-bromophenyl)sulfonylamino]-5-fluorobenzenecarbothioamide
CID 82016859

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone (CID 64637514) is 2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone is O=C(CS(=O)(=O)c1cccc(Br)c1)c1cc(F)ccc1F.
What is the InChIKey of 2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone?
The InChIKey is RFGWYWLWYJGORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O3S/c15-9-2-1-3-11(6-9)21(19,20)8-14(18)12-7-10(16)4-5-13(12)17/h1-7H,8H2.
What are the key properties of 2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone?
2-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)ethanone has a molecular weight of 375.19 g/mol, XLogP of 3.38, 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-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 64637514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).