[3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol

C13H8Br2F2O3S — CID 142587686

IUPAC[3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol
SMILESO=S(=O)(c1ccc(F)c(Br)c1)c1cc(CO)cc(Br)c1F
InChIInChI=1S/C13H8Br2F2O3S/c14-9-5-8(1-2-11(9)16)21(19,20)12-4-7(6-18)3-10(15)13(12)17/h1-5,18H,6H2
InChIKeyXEMGYXULHWMCCC-UHFFFAOYSA-N
MW442.08 g/mol
LogP3.81
Rot. Bonds3

About [3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol

[3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol (PubChem CID 142587686) has the molecular formula C13H8Br2F2O3S and a molecular weight of 442.08 g/mol. Its IUPAC name is [3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol
PubChem CID142587686
Molecular FormulaC13H8Br2F2O3S
Molecular Weight442.08 g/mol
Exact Mass439.85
IUPAC Name[3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol
SMILESO=S(=O)(c1ccc(F)c(Br)c1)c1cc(CO)cc(Br)c1F
InChIInChI=1S/C13H8Br2F2O3S/c14-9-5-8(1-2-11(9)16)21(19,20)12-4-7(6-18)3-10(15)13(12)17/h1-5,18H,6H2
InChIKeyXEMGYXULHWMCCC-UHFFFAOYSA-N
XLogP3.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.08
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-fluorophenyl)-imino-methyl-oxo-λ6-sulfane
CID 135226829
3-bromo-5-(hydroxymethyl)-2-methylbenzenesulfonamide
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2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736596
(3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-λ6-sulfane
CID 135227105
2-bromo-6-fluoro-4-(hydroxymethyl)benzenesulfinate
CID 174442544
[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370
N-[(3-bromothiophen-2-yl)methyl]-2,3-difluoro-5-(hydroxymethyl)benzenesulfonamide
CID 105117635
N-[(3-bromo-4-fluorophenyl)methyl]-4-iodobenzenesulfonamide
CID 3790083
3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
CID 131852252
CID 131852252
(4-amino-3-bromo-5-fluorophenyl)methanol
CID 71721412

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol?
The IUPAC name of [3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol (CID 142587686) is [3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol.
What is the SMILES notation for [3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol?
The canonical SMILES for [3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol is O=S(=O)(c1ccc(F)c(Br)c1)c1cc(CO)cc(Br)c1F.
What is the InChIKey of [3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol?
The InChIKey is XEMGYXULHWMCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2F2O3S/c14-9-5-8(1-2-11(9)16)21(19,20)12-4-7(6-18)3-10(15)13(12)17/h1-5,18H,6H2.
What are the key properties of [3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol?
[3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol has a molecular weight of 442.08 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol is sourced from PubChem (CID 142587686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).