2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

C19H23ClN2O3S — CID 16892770

IUPAC2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1ccccc1Cl
InChIInChI=1S/C19H23ClN2O3S/c20-17-9-4-5-10-19(17)26(23,24)21-11-6-12-22-13-14-25-18(15-22)16-7-2-1-3-8-16/h1-5,7-10,18,21H,6,11-15H2
InChIKeyAOUOYNFGHHVANG-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.08
Rot. Bonds7

About 2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide

2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (PubChem CID 16892770) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
PubChem CID16892770
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1ccccc1Cl
InChIInChI=1S/C19H23ClN2O3S/c20-17-9-4-5-10-19(17)26(23,24)21-11-6-12-22-13-14-25-18(15-22)16-7-2-1-3-8-16/h1-5,7-10,18,21H,6,11-15H2
InChIKeyAOUOYNFGHHVANG-UHFFFAOYSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]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

4-Chloro-N-(2-methoxy-2-phenyl-ethyl)-benzenesulfonamide
CID 2831758
4-fluoro-N-(2-(2-phenylmorpholino)ethyl)benzenesulfonamide
CID 16892685
2,4-difluoro-N-(4-(2-phenylmorpholino)butyl)benzenesulfonamide
CID 16892888
3-chloro-4-fluoro-N-(2-oxo-2-(2-phenylmorpholino)ethyl)benzenesulfonamide
CID 16895087
4-((3-Chloro-4-fluorophenyl)sulfonyl)-2-phenylmorpholine
CID 16895243
3-[(2-Chlorophenyl)methoxy]-1-(4-fluorophenyl)sulfonylpiperidine
CID 46153741
N-[3-oxo-3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 47021337
2-[2-(4-Chlorophenyl)morpholin-4-yl]ethanesulfonamide
CID 53620454
2-chloro-N-(2-oxo-2-(2-phenylmorpholino)ethyl)benzenesulfonamide
CID 16895079
4-chloro-N-(2-oxo-2-(2-phenylmorpholino)ethyl)benzenesulfonamide
CID 16895092
5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzene-1-sulfonamide
CID 16895132
4-((3-Chlorobenzyl)sulfonyl)-2-phenylmorpholine
CID 16895304

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide (CID 16892770) is 2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is O=S(=O)(NCCCN1CCOC(c2ccccc2)C1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
The InChIKey is AOUOYNFGHHVANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c20-17-9-4-5-10-19(17)26(23,24)21-11-6-12-22-13-14-25-18(15-22)16-7-2-1-3-8-16/h1-5,7-10,18,21H,6,11-15H2.
What are the key properties of 2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide?
2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide has a molecular weight of 394.92 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 16892770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).