4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid

C14H18N2O7S — CID 119239861

IUPAC4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCOC(C(=O)O)C2)ccc1OC
InChIInChI=1S/C14H18N2O7S/c1-15-24(20,21)12-7-9(3-4-10(12)22-2)13(17)16-5-6-23-11(8-16)14(18)19/h3-4,7,11,15H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyPQVWUOIVYYWEPZ-UHFFFAOYSA-N
MW358.37 g/mol
LogP-0.47
Rot. Bonds5

About 4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid

4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid (PubChem CID 119239861) has the molecular formula C14H18N2O7S and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
PubChem CID119239861
Molecular FormulaC14H18N2O7S
Molecular Weight358.37 g/mol
Exact Mass358.08
IUPAC Name4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCOC(C(=O)O)C2)ccc1OC
InChIInChI=1S/C14H18N2O7S/c1-15-24(20,21)12-7-9(3-4-10(12)22-2)13(17)16-5-6-23-11(8-16)14(18)19/h3-4,7,11,15H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyPQVWUOIVYYWEPZ-UHFFFAOYSA-N
XLogP-0.47
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[4-methoxy-3-(methylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125118224
4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid
CID 119238801
2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119491799
4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119357851
4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid
CID 119239104
(4-methoxy-3-methylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 110631332
(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid
CID 129466116
5-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 55685294
methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 49071505
5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 71877292
4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid
CID 119239726

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid (CID 119239861) is 4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid is CNS(=O)(=O)c1cc(C(=O)N2CCOC(C(=O)O)C2)ccc1OC.
What is the InChIKey of 4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid?
The InChIKey is PQVWUOIVYYWEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O7S/c1-15-24(20,21)12-7-9(3-4-10(12)22-2)13(17)16-5-6-23-11(8-16)14(18)19/h3-4,7,11,15H,5-6,8H2,1-2H3,(H,18,19).
What are the key properties of 4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid?
4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid has a molecular weight of 358.37 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).