[(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol

C19H22ClNO4S — CID 126652448

IUPAC[(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](CO)OCC2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO4S/c1-14-2-8-19(9-3-14)26(23,24)21-11-18(12-22)25-13-17(21)10-15-4-6-16(20)7-5-15/h2-9,17-18,22H,10-13H2,1H3/t17?,18-/m0/s1
InChIKeyFOIHJCROFZGJIR-ZVAWYAOSSA-N
MW395.91 g/mol
LogP2.64
Rot. Bonds5

About [(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol

[(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol (PubChem CID 126652448) has the molecular formula C19H22ClNO4S and a molecular weight of 395.91 g/mol. Its IUPAC name is [(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
PubChem CID126652448
Molecular FormulaC19H22ClNO4S
Molecular Weight395.91 g/mol
Exact Mass395.10
IUPAC Name[(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](CO)OCC2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO4S/c1-14-2-8-19(9-3-14)26(23,24)21-11-18(12-22)25-13-17(21)10-15-4-6-16(20)7-5-15/h2-9,17-18,22H,10-13H2,1H3/t17?,18-/m0/s1
InChIKeyFOIHJCROFZGJIR-ZVAWYAOSSA-N
XLogP2.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
[(2R,5S)-5-[(4-chlorophenyl)methyl]-4-ethylmorpholin-2-yl]methanol
CID 170360142
(2S,5S)-5-benzyl-2-ethenyl-4-(4-methylphenyl)sulfonylmorpholine
CID 102266547
[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219341
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
N-[[(2S,5S)-5-benzyl-4-(4-nitrophenyl)sulfonylmorpholin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 102293017
[5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane
CID 155576987
[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81218776
4-methylbenzenesulfonic acid;[(2R)-oxiran-2-yl]methanol
CID 122197608
2-benzyl-1-(4-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 67665365
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
N'-[(4-chlorophenyl)methyl]-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 18561526

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol (CID 126652448) is [(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol is Cc1ccc(S(=O)(=O)N2C[C@@H](CO)OCC2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of [(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is FOIHJCROFZGJIR-ZVAWYAOSSA-N. The full InChI is InChI=1S/C19H22ClNO4S/c1-14-2-8-19(9-3-14)26(23,24)21-11-18(12-22)25-13-17(21)10-15-4-6-16(20)7-5-15/h2-9,17-18,22H,10-13H2,1H3/t17?,18-/m0/s1.
What are the key properties of [(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol?
[(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 395.91 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 126652448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).