4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide

C22H26ClN3O4S — CID 4005899

IUPAC4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H26ClN3O4S/c23-20-9-4-17(16-21(20)31(28,29)26-10-2-1-3-11-26)22(27)24-18-5-7-19(8-6-18)25-12-14-30-15-13-25/h4-9,16H,1-3,10-15H2,(H,24,27)
InChIKeyNRGQHWAOKREDCO-UHFFFAOYSA-N
MW463.99 g/mol
LogP3.60
Rot. Bonds5

About 4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide

4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 4005899) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID4005899
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H26ClN3O4S/c23-20-9-4-17(16-21(20)31(28,29)26-10-2-1-3-11-26)22(27)24-18-5-7-19(8-6-18)25-12-14-30-15-13-25/h4-9,16H,1-3,10-15H2,(H,24,27)
InChIKeyNRGQHWAOKREDCO-UHFFFAOYSA-N
XLogP3.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide 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 4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 4005899) is 4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is NRGQHWAOKREDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c23-20-9-4-17(16-21(20)31(28,29)26-10-2-1-3-11-26)22(27)24-18-5-7-19(8-6-18)25-12-14-30-15-13-25/h4-9,16H,1-3,10-15H2,(H,24,27).
What are the key properties of 4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 463.99 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-morpholin-4-ylphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4005899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).