N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide

C19H22N2O4S — CID 110372439

IUPACN-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-2-20(14-16-6-4-3-5-7-16)26(23,24)18-10-8-17(9-11-18)21-12-13-25-15-19(21)22/h3-11H,2,12-15H2,1H3
InChIKeyGGOQEDWXKMKHBU-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.26
Rot. Bonds6

About N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide

N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide (PubChem CID 110372439) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide
PubChem CID110372439
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-2-20(14-16-6-4-3-5-7-16)26(23,24)18-10-8-17(9-11-18)21-12-13-25-15-19(21)22/h3-11H,2,12-15H2,1H3
InChIKeyGGOQEDWXKMKHBU-UHFFFAOYSA-N
XLogP2.26
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1167021
N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37478178
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-(2-ethylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372480
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide
CID 110372460
N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372427
N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide
CID 3226867
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178749
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-(4-ethoxyphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372508

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide (CID 110372439) is N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide?
The InChIKey is GGOQEDWXKMKHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-2-20(14-16-6-4-3-5-7-16)26(23,24)18-10-8-17(9-11-18)21-12-13-25-15-19(21)22/h3-11H,2,12-15H2,1H3.
What are the key properties of N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide?
N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide is sourced from PubChem (CID 110372439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).