(2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol

C12H10Br2O3S2 — CID 61082622

IUPAC(2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(C(O)c2cc(Br)sc2Br)cc1
InChIInChI=1S/C12H10Br2O3S2/c1-19(16,17)8-4-2-7(3-5-8)11(15)9-6-10(13)18-12(9)14/h2-6,11,15H,1H3
InChIKeySJZKTGCJFRTUOB-UHFFFAOYSA-N
MW426.15 g/mol
LogP3.76
Rot. Bonds3

About (2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol

(2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol (PubChem CID 61082622) has the molecular formula C12H10Br2O3S2 and a molecular weight of 426.15 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol
PubChem CID61082622
Molecular FormulaC12H10Br2O3S2
Molecular Weight426.15 g/mol
Exact Mass423.84
IUPAC Name(2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol
SMILESCS(=O)(=O)c1ccc(C(O)c2cc(Br)sc2Br)cc1
InChIInChI=1S/C12H10Br2O3S2/c1-19(16,17)8-4-2-7(3-5-8)11(15)9-6-10(13)18-12(9)14/h2-6,11,15H,1H3
InChIKeySJZKTGCJFRTUOB-UHFFFAOYSA-N
XLogP3.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.15
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-3-[bromo-(4-methylsulfonylphenyl)methyl]thiophene
CID 61098377
2,5-dibromo-3-[chloro-(3-methylsulfonylphenyl)methyl]thiophene
CID 61085021
(4-methylsulfonylphenyl)-(2-methylthiophen-3-yl)methanol
CID 102842447
(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 61100814
(2,5-dibromothiophen-3-yl)-(3-ethylphenyl)methanol
CID 107969813
(4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine
CID 80533218
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 115795717
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064
amino-(4-methylsulfonylphenyl)methanol
CID 116939660
chloro-(4-methylsulfonylphenyl)methanol
CID 172793429
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
(4-fluoro-3-methylphenyl)-(4-methylsulfonylphenyl)methanol
CID 79746730

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol (CID 61082622) is (2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol is CS(=O)(=O)c1ccc(C(O)c2cc(Br)sc2Br)cc1.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol?
The InChIKey is SJZKTGCJFRTUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2O3S2/c1-19(16,17)8-4-2-7(3-5-8)11(15)9-6-10(13)18-12(9)14/h2-6,11,15H,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol?
(2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol has a molecular weight of 426.15 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(4-methylsulfonylphenyl)methanol is sourced from PubChem (CID 61082622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).