3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide

C19H21ClN2O4S — CID 2437686

IUPAC3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O4S/c20-15-1-7-18(8-2-15)27(24,25)14-9-19(23)21-16-3-5-17(6-4-16)22-10-12-26-13-11-22/h1-8H,9-14H2,(H,21,23)
InChIKeyZWFBDXLCCUIIFH-UHFFFAOYSA-N
MW408.91 g/mol
LogP2.98
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 2437686) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID2437686
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O4S/c20-15-1-7-18(8-2-15)27(24,25)14-9-19(23)21-16-3-5-17(6-4-16)22-10-12-26-13-11-22/h1-8H,9-14H2,(H,21,23)
InChIKeyZWFBDXLCCUIIFH-UHFFFAOYSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-morpholinophenyl)-2-(phenylsulfanyl)acetamide
CID 3753436
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5021320
2-(4-Chloro-phenylsulfanyl)-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-acetamide
CID 1087191
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2413278
N-[4-(4-morpholinylsulfonyl)phenyl]-3-(phenylthio)propanamide
CID 2951066
2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 2963778
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4257412
N-[3-[(4-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide
CID 4424826
3-(4-Chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 4791754
2-(2-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 4792203
2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 4857878
2-(4-chlorophenyl)sulfanyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16545860

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide (CID 2437686) is 3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is ZWFBDXLCCUIIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c20-15-1-7-18(8-2-15)27(24,25)14-9-19(23)21-16-3-5-17(6-4-16)22-10-12-26-13-11-22/h1-8H,9-14H2,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 408.91 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 2437686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).