[4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

C13H18BrNO4S — CID 81219098

IUPAC[4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CC(CO)OCC1C
InChIInChI=1S/C13H18BrNO4S/c1-9-3-4-11(14)5-13(9)20(17,18)15-6-12(7-16)19-8-10(15)2/h3-5,10,12,16H,6-8H2,1-2H3
InChIKeyHETYROFKCINGMG-UHFFFAOYSA-N
MW364.26 g/mol
LogP1.53
Rot. Bonds3

About [4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

[4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (PubChem CID 81219098) has the molecular formula C13H18BrNO4S and a molecular weight of 364.26 g/mol. Its IUPAC name is [4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
PubChem CID81219098
Molecular FormulaC13H18BrNO4S
Molecular Weight364.26 g/mol
Exact Mass363.01
IUPAC Name[4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCc1ccc(Br)cc1S(=O)(=O)N1CC(CO)OCC1C
InChIInChI=1S/C13H18BrNO4S/c1-9-3-4-11(14)5-13(9)20(17,18)15-6-12(7-16)19-8-10(15)2/h3-5,10,12,16H,6-8H2,1-2H3
InChIKeyHETYROFKCINGMG-UHFFFAOYSA-N
XLogP1.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(bromomethyl)-4-(2,5-dibromophenyl)sulfonyl-5-methylmorpholine
CID 81211936
[4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81205329
[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81218776
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
[4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195724
[4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195535
[4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219427
4-chloro-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylbenzonitrile
CID 81194735
[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219341
(4-bromo-2-methylphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208453
[4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81194847
4-(3-bromophenyl)sulfonyl-2-(chloromethyl)-5-methylmorpholine
CID 81211858

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (CID 81219098) is [4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is Cc1ccc(Br)cc1S(=O)(=O)N1CC(CO)OCC1C.
What is the InChIKey of [4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The InChIKey is HETYROFKCINGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4S/c1-9-3-4-11(14)5-13(9)20(17,18)15-6-12(7-16)19-8-10(15)2/h3-5,10,12,16H,6-8H2,1-2H3.
What are the key properties of [4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
[4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol has a molecular weight of 364.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81219098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).