(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate

C19H21NO6S — CID 7811749

IUPAC(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21NO6S/c1-24-18-8-3-2-7-17(18)19(21)26-14-15-5-4-6-16(13-15)27(22,23)20-9-11-25-12-10-20/h2-8,13H,9-12,14H2,1H3
InChIKeySMSLBOLGTGHBTL-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.07
Rot. Bonds6

About (3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate

(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate (PubChem CID 7811749) has the molecular formula C19H21NO6S and a molecular weight of 391.45 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
PubChem CID7811749
Molecular FormulaC19H21NO6S
Molecular Weight391.45 g/mol
Exact Mass391.11
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21NO6S/c1-24-18-8-3-2-7-17(18)19(21)26-14-15-5-4-6-16(13-15)27(22,23)20-9-11-25-12-10-20/h2-8,13H,9-12,14H2,1H3
InChIKeySMSLBOLGTGHBTL-UHFFFAOYSA-N
XLogP2.07
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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(3-morpholin-4-ylsulfonylphenyl)methyl 1-benzothiophene-2-carboxylate
CID 7887439
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate (CID 7811749) is (3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate is COc1ccccc1C(=O)OCc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate?
The InChIKey is SMSLBOLGTGHBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S/c1-24-18-8-3-2-7-17(18)19(21)26-14-15-5-4-6-16(13-15)27(22,23)20-9-11-25-12-10-20/h2-8,13H,9-12,14H2,1H3.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate?
(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate has a molecular weight of 391.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate is sourced from PubChem (CID 7811749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).