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

C19H21NO7S — CID 29382847

IUPAC(3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1O
InChIInChI=1S/C19H21NO7S/c1-25-17-7-3-6-16(18(17)21)19(22)27-13-14-4-2-5-15(12-14)28(23,24)20-8-10-26-11-9-20/h2-7,12,21H,8-11,13H2,1H3
InChIKeyGLAYIBFRWFQCRL-UHFFFAOYSA-N
MW407.44 g/mol
LogP1.78
Rot. Bonds6

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

(3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate (PubChem CID 29382847) has the molecular formula C19H21NO7S and a molecular weight of 407.44 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate
PubChem CID29382847
Molecular FormulaC19H21NO7S
Molecular Weight407.44 g/mol
Exact Mass407.10
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1O
InChIInChI=1S/C19H21NO7S/c1-25-17-7-3-6-16(18(17)21)19(22)27-13-14-4-2-5-15(12-14)28(23,24)20-8-10-26-11-9-20/h2-7,12,21H,8-11,13H2,1H3
InChIKeyGLAYIBFRWFQCRL-UHFFFAOYSA-N
XLogP1.78
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
CID 7811749
(3-morpholin-4-ylsulfonylphenyl)methyl 4-methylbenzoate
CID 7696448
(3-morpholin-4-ylsulfonylphenyl)methyl 2-chloro-4-fluorobenzoate
CID 7826009
(3-morpholin-4-ylsulfonylphenyl)methyl 2-(2-cyanophenyl)benzoate
CID 18532475
(3-morpholin-4-ylsulfonylphenyl)methyl 4-(dimethylamino)benzoate
CID 7668490
(3-morpholin-4-ylsulfonylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385964
(2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
CID 2448565
(3-morpholin-4-ylsulfonylphenyl)methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 42988498
(3-morpholin-4-ylsulfonylphenyl)methyl 3,5-diacetamidobenzoate
CID 29358656
(3-morpholin-4-ylsulfonylphenyl)methyl cyclopentanecarboxylate
CID 8020326
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
(3-morpholin-4-ylsulfonylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 42978879

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate (CID 29382847) is (3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate is COc1cccc(C(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1O.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate?
The InChIKey is GLAYIBFRWFQCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO7S/c1-25-17-7-3-6-16(18(17)21)19(22)27-13-14-4-2-5-15(12-14)28(23,24)20-8-10-26-11-9-20/h2-7,12,21H,8-11,13H2,1H3.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate?
(3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate has a molecular weight of 407.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 29382847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).