2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate

C20H22ClNO6S — CID 2662285

IUPAC2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(CCOC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1
InChIInChI=1S/C20H22ClNO6S/c1-26-16-4-2-15(3-5-16)8-11-28-20(23)18-14-17(6-7-19(18)21)29(24,25)22-9-12-27-13-10-22/h2-7,14H,8-13H2,1H3
InChIKeySAGUSLUNFVWOLI-UHFFFAOYSA-N
MW439.92 g/mol
LogP2.77
Rot. Bonds7

About 2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate

2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2662285) has the molecular formula C20H22ClNO6S and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2662285
Molecular FormulaC20H22ClNO6S
Molecular Weight439.92 g/mol
Exact Mass439.09
IUPAC Name2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(CCOC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1
InChIInChI=1S/C20H22ClNO6S/c1-26-16-4-2-15(3-5-16)8-11-28-20(23)18-14-17(6-7-19(18)21)29(24,25)22-9-12-27-13-10-22/h2-7,14H,8-13H2,1H3
InChIKeySAGUSLUNFVWOLI-UHFFFAOYSA-N
XLogP2.77
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16578079
2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1081914
2-(4-methoxyphenyl)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 2662298
2-(4-methylphenoxy)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2495575
2-(4-methoxyphenoxy)ethyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2652262
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 55316042
2-phenylethyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 1124170
[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 4104731
(5-acetyl-2-methoxyphenyl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 3513631
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521191

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate (CID 2662285) is 2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate is COc1ccc(CCOC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is SAGUSLUNFVWOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO6S/c1-26-16-4-2-15(3-5-16)8-11-28-20(23)18-14-17(6-7-19(18)21)29(24,25)22-9-12-27-13-10-22/h2-7,14H,8-13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate?
2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 439.92 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2662285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).