4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid

C15H20N2O6S — CID 119239991

IUPAC4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCOC(C(=O)O)C2)c1
InChIInChI=1S/C15H20N2O6S/c1-3-16-24(21,22)11-5-4-10(2)12(8-11)14(18)17-6-7-23-13(9-17)15(19)20/h4-5,8,13,16H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeyZTXOVJSIMBYDDP-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.22
Rot. Bonds5

About 4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid

4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid (PubChem CID 119239991) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid
PubChem CID119239991
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCOC(C(=O)O)C2)c1
InChIInChI=1S/C15H20N2O6S/c1-3-16-24(21,22)11-5-4-10(2)12(8-11)14(18)17-6-7-23-13(9-17)15(19)20/h4-5,8,13,16H,3,6-7,9H2,1-2H3,(H,19,20)
InChIKeyZTXOVJSIMBYDDP-UHFFFAOYSA-N
XLogP0.22
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
N,4-dimethyl-3-[(2S)-2-methylmorpholine-4-carbonyl]benzenesulfonamide
CID 94538564
3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 119635407
N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide
CID 119400509
N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 78782911
N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
CID 52910564
N-(2-aminoethyl)-1-[5-(ethylsulfamoyl)-2-methylbenzoyl]piperidine-3-carboxamide;hydrochloride
CID 119479664
1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257445
N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119543123
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 17451861
2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 125134078
N-ethyl-4-methyl-3-(4-methyl-2-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 55532663

Frequently Asked Questions

What is the IUPAC name of 4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid (CID 119239991) is 4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid is CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCOC(C(=O)O)C2)c1.
What is the InChIKey of 4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid?
The InChIKey is ZTXOVJSIMBYDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-3-16-24(21,22)11-5-4-10(2)12(8-11)14(18)17-6-7-23-13(9-17)15(19)20/h4-5,8,13,16H,3,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid?
4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid has a molecular weight of 356.40 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).