(2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate

C20H21Cl2NO7S — CID 2448565

IUPAC(2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCc2c(Cl)cccc2Cl)c1OC
InChIInChI=1S/C20H21Cl2NO7S/c1-27-18-11-13(31(25,26)23-6-8-29-9-7-23)10-14(19(18)28-2)20(24)30-12-15-16(21)4-3-5-17(15)22/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyRUUBXROGOLNGEL-UHFFFAOYSA-N
MW490.36 g/mol
LogP3.39
Rot. Bonds7

About (2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate

(2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2448565) has the molecular formula C20H21Cl2NO7S and a molecular weight of 490.36 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2448565
Molecular FormulaC20H21Cl2NO7S
Molecular Weight490.36 g/mol
Exact Mass489.04
IUPAC Name(2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCc2c(Cl)cccc2Cl)c1OC
InChIInChI=1S/C20H21Cl2NO7S/c1-27-18-11-13(31(25,26)23-6-8-29-9-7-23)10-14(19(18)28-2)20(24)30-12-15-16(21)4-3-5-17(15)22/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyRUUBXROGOLNGEL-UHFFFAOYSA-N
XLogP3.39
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,6-dichlorophenyl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 3881393
(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
CID 7811749
(3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate
CID 29382847
N-(3-aminopropyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119404990
[(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
CID 2465865
(5-acetyl-2-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 3513631
(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16578079
N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide
CID 43005968
N-hexyl-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
CID 43007086
(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7890719
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 4012581
(2-oxo-2-pyrrolidin-1-ylethyl) 2-methoxy-5-morpholin-4-ylsulfonylbenzoate
CID 8543760

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate (CID 2448565) is (2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate is COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCc2c(Cl)cccc2Cl)c1OC.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is RUUBXROGOLNGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO7S/c1-27-18-11-13(31(25,26)23-6-8-29-9-7-23)10-14(19(18)28-2)20(24)30-12-15-16(21)4-3-5-17(15)22/h3-5,10-11H,6-9,12H2,1-2H3.
What are the key properties of (2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate?
(2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 490.36 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2448565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).