(4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid

C11H16BNO7S — CID 131749272

IUPAC(4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid
SMILESCOc1ccc(OB(O)O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H16BNO7S/c1-18-10-3-2-9(20-12(14)15)8-11(10)21(16,17)13-4-6-19-7-5-13/h2-3,8,14-15H,4-7H2,1H3
InChIKeyZXWRDQMCBUHDBG-UHFFFAOYSA-N
MW317.13 g/mol
LogP-0.94
Rot. Bonds5

About (4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid

(4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid (PubChem CID 131749272) has the molecular formula C11H16BNO7S and a molecular weight of 317.13 g/mol. Its IUPAC name is (4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid.

Molecular Properties

Compound Name(4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid
PubChem CID131749272
Molecular FormulaC11H16BNO7S
Molecular Weight317.13 g/mol
Exact Mass317.07
IUPAC Name(4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid
SMILESCOc1ccc(OB(O)O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H16BNO7S/c1-18-10-3-2-9(20-12(14)15)8-11(10)21(16,17)13-4-6-19-7-5-13/h2-3,8,14-15H,4-7H2,1H3
InChIKeyZXWRDQMCBUHDBG-UHFFFAOYSA-N
XLogP-0.94
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine
CID 13458319
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049
(2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid
CID 142772199
3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane
CID 110739698
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24979442
(4-nitrophenyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 1379134
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014
3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740103

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid?
The IUPAC name of (4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid (CID 131749272) is (4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid.
What is the SMILES notation for (4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid?
The canonical SMILES for (4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid is COc1ccc(OB(O)O)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid?
The InChIKey is ZXWRDQMCBUHDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO7S/c1-18-10-3-2-9(20-12(14)15)8-11(10)21(16,17)13-4-6-19-7-5-13/h2-3,8,14-15H,4-7H2,1H3.
What are the key properties of (4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid?
(4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid has a molecular weight of 317.13 g/mol, XLogP of -0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-morpholin-4-ylsulfonylphenoxy)boronic acid is sourced from PubChem (CID 131749272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).