(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate

C19H20ClNO5S — CID 7750422

IUPAC(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20ClNO5S/c20-17-6-4-15(5-7-17)13-19(22)26-14-16-2-1-3-18(12-16)27(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13-14H2
InChIKeyCDWUNPMEJIGJOQ-UHFFFAOYSA-N
MW409.89 g/mol
LogP2.65
Rot. Bonds6

About (3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate

(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate (PubChem CID 7750422) has the molecular formula C19H20ClNO5S and a molecular weight of 409.89 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate
PubChem CID7750422
Molecular FormulaC19H20ClNO5S
Molecular Weight409.89 g/mol
Exact Mass409.08
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20ClNO5S/c20-17-6-4-15(5-7-17)13-19(22)26-14-16-2-1-3-18(12-16)27(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13-14H2
InChIKeyCDWUNPMEJIGJOQ-UHFFFAOYSA-N
XLogP2.65
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.89
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-morpholin-4-ylsulfonylphenyl)methyl 3-phenylsulfanylpropanoate
CID 8853648
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CID 8020326
(3-morpholin-4-ylsulfonylphenyl)methyl 2-chloro-4-fluorobenzoate
CID 7826009
(3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate
CID 8533259
(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate
CID 7783364
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885940
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932936
(3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate
CID 31647896
(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
CID 7811749
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate
CID 22830492
(3-morpholin-4-ylsulfonylphenyl)methyl 4-(dimethylamino)benzoate
CID 7668490

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate (CID 7750422) is (3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate?
The InChIKey is CDWUNPMEJIGJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5S/c20-17-6-4-15(5-7-17)13-19(22)26-14-16-2-1-3-18(12-16)27(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13-14H2.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate?
(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate has a molecular weight of 409.89 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 7750422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).