4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid

C16H22N2O6S — CID 119216140

IUPAC4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCOCC2C(=O)O)c1
InChIInChI=1S/C16H22N2O6S/c1-3-17(4-2)25(22,23)13-7-5-6-12(10-13)15(19)18-8-9-24-11-14(18)16(20)21/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,20,21)
InChIKeyOYTGUGRAKNGVMA-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.64
Rot. Bonds6

About 4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid

4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid (PubChem CID 119216140) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
PubChem CID119216140
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCOCC2C(=O)O)c1
InChIInChI=1S/C16H22N2O6S/c1-3-17(4-2)25(22,23)13-7-5-6-12(10-13)15(19)18-8-9-24-11-14(18)16(20)21/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,20,21)
InChIKeyOYTGUGRAKNGVMA-UHFFFAOYSA-N
XLogP0.64
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354676
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513663
4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216316
4-[4-(butan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215860
3-(4-benzoylpiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 18143310
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
1-[(3R)-4-[3-(5-azaspiro[2.3]hexan-5-ylsulfonyl)benzoyl]morpholin-3-yl]ethanone
CID 159443108
3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61253542
4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid
CID 119216217
N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073522
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid (CID 119216140) is 4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid is CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCOCC2C(=O)O)c1.
What is the InChIKey of 4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The InChIKey is OYTGUGRAKNGVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-3-17(4-2)25(22,23)13-7-5-6-12(10-13)15(19)18-8-9-24-11-14(18)16(20)21/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,20,21).
What are the key properties of 4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).