1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one

C15H12BrFO3S — CID 64643723

IUPAC1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)CS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrFO3S/c16-12-5-7-14(8-6-12)21(19,20)10-13(18)9-11-3-1-2-4-15(11)17/h1-8H,9-10H2
InChIKeyIDJGWZKSNVLDTF-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.17
Rot. Bonds5

About 1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one

1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one (PubChem CID 64643723) has the molecular formula C15H12BrFO3S and a molecular weight of 371.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one
PubChem CID64643723
Molecular FormulaC15H12BrFO3S
Molecular Weight371.23 g/mol
Exact Mass369.97
IUPAC Name1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1F)CS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrFO3S/c16-12-5-7-14(8-6-12)21(19,20)10-13(18)9-11-3-1-2-4-15(11)17/h1-8H,9-10H2
InChIKeyIDJGWZKSNVLDTF-UHFFFAOYSA-N
XLogP3.17
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-(2-fluorophenyl)sulfonylpropan-2-one
CID 64642533
1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylpropan-2-one
CID 167548064
2-(4-bromophenyl)sulfonyl-1-phenylethanone
CID 765822
2-(4-bromophenyl)sulfonylacetate
CID 7744989
1-(4-bromophenyl)sulfonyl-3-methoxypropan-2-one
CID 107508460
1-[2-[(4-bromophenyl)sulfonylmethyl]phenyl]-3-(2,4-dichlorophenyl)propan-2-one
CID 158315475
2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide
CID 34381808
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
4-[(4-bromophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]butanoate
CID 3701532
1-fluoro-2-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 60777072
N'-[2-(4-bromophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 7809057
1-(4-bromophenyl)-2-[(2-fluorophenyl)methoxy]propan-1-one
CID 63937365

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one (CID 64643723) is 1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one is O=C(Cc1ccccc1F)CS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one?
The InChIKey is IDJGWZKSNVLDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3S/c16-12-5-7-14(8-6-12)21(19,20)10-13(18)9-11-3-1-2-4-15(11)17/h1-8H,9-10H2.
What are the key properties of 1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one?
1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one has a molecular weight of 371.23 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 64643723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).