4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid

C12H15NO6S — CID 767913

IUPAC4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H15NO6S/c1-18-10-3-2-9(12(14)15)8-11(10)20(16,17)13-4-6-19-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyCIMGPVLMSMHBMD-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.41
Rot. Bonds4

About 4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid

4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid (PubChem CID 767913) has the molecular formula C12H15NO6S and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid.

Molecular Properties

Compound Name4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid
PubChem CID767913
Molecular FormulaC12H15NO6S
Molecular Weight301.32 g/mol
Exact Mass301.06
IUPAC Name4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H15NO6S/c1-18-10-3-2-9(12(14)15)8-11(10)20(16,17)13-4-6-19-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyCIMGPVLMSMHBMD-UHFFFAOYSA-N
XLogP0.41
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-3-[(propan-2-yl)sulfamoyl]benzoic acid
CID 2119871
4-Methoxy-3-sulfamoylbenzoic acid
CID 2492699
3-(Dimethylsulfamoyl)-4-methoxybenzoic acid
CID 2492687
4-Methoxy-3-(methylsulfamoyl)benzoic acid
CID 2492720
3-(Tert-butylsulfamoyl)-4-methoxybenzoic acid
CID 4464061
4-Methoxy-3-(4-thiomorpholinylsulfonyl)benzoic acid
CID 6462652
4-Methoxy-3-(morpholine-4-sulfonyl)-benzoic acid 2-oxo-2-phenyl-ethyl ester
CID 1107085
3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid
CID 757123
4-Methoxy-3-[2-phenylethyl-(phenylmethyl)sulfamoyl]benzoic acid
CID 2386022
[2-(Cyclopropylamino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2488458
(2-Fluorophenyl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2596367
(3-Fluoro-4-methoxyphenyl)methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 2631185

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid?
The IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid (CID 767913) is 4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid.
What is the SMILES notation for 4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid?
The canonical SMILES for 4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid?
The InChIKey is CIMGPVLMSMHBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6S/c1-18-10-3-2-9(12(14)15)8-11(10)20(16,17)13-4-6-19-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15).
What are the key properties of 4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid?
4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid has a molecular weight of 301.32 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid is sourced from PubChem (CID 767913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).