N-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

C15H22N2O4S — CID 2228339

IUPACN-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-2-16-22(19,20)14-6-3-13(4-7-14)5-8-15(18)17-9-11-21-12-10-17/h3-4,6-7,16H,2,5,8-12H2,1H3
InChIKeyWTSAYOVBEBWJSD-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.78
Rot. Bonds6

About N-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

N-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (PubChem CID 2228339) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
PubChem CID2228339
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-2-16-22(19,20)14-6-3-13(4-7-14)5-8-15(18)17-9-11-21-12-10-17/h3-4,6-7,16H,2,5,8-12H2,1H3
InChIKeyWTSAYOVBEBWJSD-UHFFFAOYSA-N
XLogP0.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (CID 2228339) is N-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The InChIKey is WTSAYOVBEBWJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-16-22(19,20)14-6-3-13(4-7-14)5-8-15(18)17-9-11-21-12-10-17/h3-4,6-7,16H,2,5,8-12H2,1H3.
What are the key properties of N-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
N-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 2228339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).