(2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate

C14H16ClNO6S — CID 7466290

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H16ClNO6S/c1-23(19,20)10-2-3-12(15)11(8-10)14(18)22-9-13(17)16-4-6-21-7-5-16/h2-3,8H,4-7,9H2,1H3
InChIKeyMBSNRVSTFSINBZ-UHFFFAOYSA-N
MW361.80 g/mol
LogP0.76
Rot. Bonds4

About (2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate

(2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate (PubChem CID 7466290) has the molecular formula C14H16ClNO6S and a molecular weight of 361.80 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate
PubChem CID7466290
Molecular FormulaC14H16ClNO6S
Molecular Weight361.80 g/mol
Exact Mass361.04
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C14H16ClNO6S/c1-23(19,20)10-2-3-12(15)11(8-10)14(18)22-9-13(17)16-4-6-21-7-5-16/h2-3,8H,4-7,9H2,1H3
InChIKeyMBSNRVSTFSINBZ-UHFFFAOYSA-N
XLogP0.76
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2502975
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994131
(2-morpholin-4-yl-2-oxoethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 2432075
(2-morpholin-4-yl-2-oxoethyl) 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 23798235
(2-oxo-2-piperidin-1-ylethyl) 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2347384
[2-(azepan-1-yl)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849759
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849377
(2-morpholin-4-yl-2-oxoethyl) 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976407
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2654403
(2-oxo-2-pyrrolidin-1-ylethyl) 2-methoxy-5-morpholin-4-ylsulfonylbenzoate
CID 8543760
(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2367280
(2-morpholin-4-yl-2-oxoethyl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2433649

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate (CID 7466290) is (2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate is CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N2CCOCC2)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate?
The InChIKey is MBSNRVSTFSINBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO6S/c1-23(19,20)10-2-3-12(15)11(8-10)14(18)22-9-13(17)16-4-6-21-7-5-16/h2-3,8H,4-7,9H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate?
(2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate has a molecular weight of 361.80 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-methylsulfonylbenzoate is sourced from PubChem (CID 7466290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).