(4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol

C12H16BrClO3S2 — CID 102830337

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCS(=O)(=O)C1CCCC(C(O)c2cc(Br)c(Cl)s2)C1
InChIInChI=1S/C12H16BrClO3S2/c1-19(16,17)8-4-2-3-7(5-8)11(15)10-6-9(13)12(14)18-10/h6-8,11,15H,2-5H2,1H3
InChIKeyARXXRABHFZLMAI-UHFFFAOYSA-N
MW387.75 g/mol
LogP3.80
Rot. Bonds3

About (4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol

(4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol (PubChem CID 102830337) has the molecular formula C12H16BrClO3S2 and a molecular weight of 387.75 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol
PubChem CID102830337
Molecular FormulaC12H16BrClO3S2
Molecular Weight387.75 g/mol
Exact Mass385.94
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol
SMILESCS(=O)(=O)C1CCCC(C(O)c2cc(Br)c(Cl)s2)C1
InChIInChI=1S/C12H16BrClO3S2/c1-19(16,17)8-4-2-3-7(5-8)11(15)10-6-9(13)12(14)18-10/h6-8,11,15H,2-5H2,1H3
InChIKeyARXXRABHFZLMAI-UHFFFAOYSA-N
XLogP3.80
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(3-methylsulfonylcyclohexyl)methanol
CID 107969794
(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 114329804
(2-bromo-4-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822082
(4-bromo-2-methylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822026
(3-bromo-2-methylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 115822100
(2-amino-5-bromophenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 82703710
(2,6-dimethyl-4-pyridinyl)-(3-methylsulfonylcyclohexyl)methanol
CID 107502764
2-[(4-bromo-5-chlorothiophen-2-yl)-hydroxymethyl]cyclopentane-1-carboxylic acid
CID 102829020
(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014349
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 115567130
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165549
cyclooctyl-(3-methylsulfonylcyclohexyl)methanol
CID 80604080

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol (CID 102830337) is (4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol is CS(=O)(=O)C1CCCC(C(O)c2cc(Br)c(Cl)s2)C1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol?
The InChIKey is ARXXRABHFZLMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClO3S2/c1-19(16,17)8-4-2-3-7(5-8)11(15)10-6-9(13)12(14)18-10/h6-8,11,15H,2-5H2,1H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol has a molecular weight of 387.75 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanol is sourced from PubChem (CID 102830337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).