[4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

C12H15ClFNO4S — CID 81219427

IUPAC[4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1S(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFNO4S/c1-8-7-19-9(6-16)5-15(8)20(17,18)11-4-2-3-10(13)12(11)14/h2-4,8-9,16H,5-7H2,1H3
InChIKeyAOCPJKKWZQMBDZ-UHFFFAOYSA-N
MW323.77 g/mol
LogP1.25
Rot. Bonds3

About [4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

[4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (PubChem CID 81219427) has the molecular formula C12H15ClFNO4S and a molecular weight of 323.77 g/mol. Its IUPAC name is [4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
PubChem CID81219427
Molecular FormulaC12H15ClFNO4S
Molecular Weight323.77 g/mol
Exact Mass323.04
IUPAC Name[4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1S(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFNO4S/c1-8-7-19-9(6-16)5-15(8)20(17,18)11-4-2-3-10(13)12(11)14/h2-4,8-9,16H,5-7H2,1H3
InChIKeyAOCPJKKWZQMBDZ-UHFFFAOYSA-N
XLogP1.25
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81218776
(3-chloro-2-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81266511
4-chloro-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylbenzonitrile
CID 81194735
[4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 86781915
1-(3-chloro-2-fluorophenyl)sulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122083294
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylpyridine-2-carbothioamide
CID 106597647
methyl 4-chloro-3-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylbenzoate
CID 97094800
[4-(5-chlorothiophen-2-yl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219101
2-(bromomethyl)-4-(2-fluorophenyl)sulfonyl-5-methylmorpholine
CID 81211272
4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
CID 46596057
[4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81205329
[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260781

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (CID 81219427) is [4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1S(=O)(=O)c1cccc(Cl)c1F.
What is the InChIKey of [4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The InChIKey is AOCPJKKWZQMBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO4S/c1-8-7-19-9(6-16)5-15(8)20(17,18)11-4-2-3-10(13)12(11)14/h2-4,8-9,16H,5-7H2,1H3.
What are the key properties of [4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
[4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol has a molecular weight of 323.77 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81219427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).