[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

C12H15Cl2NO4S — CID 81218776

IUPAC[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO4S/c1-8-7-19-10(6-16)5-15(8)20(17,18)12-4-9(13)2-3-11(12)14/h2-4,8,10,16H,5-7H2,1H3
InChIKeyQFABZBDMKUZFAA-UHFFFAOYSA-N
MW340.23 g/mol
LogP1.76
Rot. Bonds3

About [4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (PubChem CID 81218776) has the molecular formula C12H15Cl2NO4S and a molecular weight of 340.23 g/mol. Its IUPAC name is [4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
PubChem CID81218776
Molecular FormulaC12H15Cl2NO4S
Molecular Weight340.23 g/mol
Exact Mass339.01
IUPAC Name[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO4S/c1-8-7-19-10(6-16)5-15(8)20(17,18)12-4-9(13)2-3-11(12)14/h2-4,8,10,16H,5-7H2,1H3
InChIKeyQFABZBDMKUZFAA-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylbenzonitrile
CID 81194735
methyl 4-chloro-3-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylbenzoate
CID 97094800
[4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219427
[4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219098
[4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219101
[4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81205329
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
[4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195535
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylpyridine-2-carbothioamide
CID 106597647
4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
CID 46596057
[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219341
[4-(2,5-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine
CID 81218450

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (CID 81218776) is [4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of [4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The InChIKey is QFABZBDMKUZFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4S/c1-8-7-19-10(6-16)5-15(8)20(17,18)12-4-9(13)2-3-11(12)14/h2-4,8,10,16H,5-7H2,1H3.
What are the key properties of [4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol has a molecular weight of 340.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81218776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).