N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide

C19H24N2O5S2 — CID 1167021

IUPACN-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-2-20(16-17-6-4-3-5-7-17)27(22,23)18-8-10-19(11-9-18)28(24,25)21-12-14-26-15-13-21/h3-11H,2,12-16H2,1H3
InChIKeyROUKFNGOGKURGR-UHFFFAOYSA-N
MW424.54 g/mol
LogP1.92
Rot. Bonds7

About N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide

N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 1167021) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID1167021
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC NameN-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-2-20(16-17-6-4-3-5-7-17)27(22,23)18-8-10-19(11-9-18)28(24,25)21-12-14-26-15-13-21/h3-11H,2,12-16H2,1H3
InChIKeyROUKFNGOGKURGR-UHFFFAOYSA-N
XLogP1.92
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide 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,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492
N-benzyl-N-ethyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37478178
N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372439
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874406
N-benzyl-4-(2,6-dimethylpiperidin-1-yl)sulfonyl-N-ethylbenzenesulfonamide
CID 3226867
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N,N-bis(but-2-ynyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 646302
4-[(3-benzyl-1,3-diazinan-1-yl)sulfonyl]-N,N-diethylbenzenesulfonamide
CID 43816588
N-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-phenylpentanamide
CID 144925781
2-[4-(diethylsulfamoyl)phenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 28562560

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 1167021) is N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is ROUKFNGOGKURGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-2-20(16-17-6-4-3-5-7-17)27(22,23)18-8-10-19(11-9-18)28(24,25)21-12-14-26-15-13-21/h3-11H,2,12-16H2,1H3.
What are the key properties of N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide?
N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 424.54 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 1167021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).