2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide

C17H23Cl2N3O4S — CID 24961532

IUPAC2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide
SMILESO=C(CC1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1)NN1CCOCC1
InChIInChI=1S/C17H23Cl2N3O4S/c18-14-3-4-16(15(19)11-14)27(24,25)22-5-1-2-13(12-22)10-17(23)20-21-6-8-26-9-7-21/h3-4,11,13H,1-2,5-10,12H2,(H,20,23)
InChIKeyKRXXORFCHDRIGR-UHFFFAOYSA-N
MW436.36 g/mol
LogP2.15
Rot. Bonds5

About 2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide

2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide (PubChem CID 24961532) has the molecular formula C17H23Cl2N3O4S and a molecular weight of 436.36 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide
PubChem CID24961532
Molecular FormulaC17H23Cl2N3O4S
Molecular Weight436.36 g/mol
Exact Mass435.08
IUPAC Name2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide
SMILESO=C(CC1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1)NN1CCOCC1
InChIInChI=1S/C17H23Cl2N3O4S/c18-14-3-4-16(15(19)11-14)27(24,25)22-5-1-2-13(12-22)10-17(23)20-21-6-8-26-9-7-21/h3-4,11,13H,1-2,5-10,12H2,(H,20,23)
InChIKeyKRXXORFCHDRIGR-UHFFFAOYSA-N
XLogP2.15
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide (CID 24961532) is 2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide is O=C(CC1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1)NN1CCOCC1.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide?
The InChIKey is KRXXORFCHDRIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O4S/c18-14-3-4-16(15(19)11-14)27(24,25)22-5-1-2-13(12-22)10-17(23)20-21-6-8-26-9-7-21/h3-4,11,13H,1-2,5-10,12H2,(H,20,23).
What are the key properties of 2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide?
2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide has a molecular weight of 436.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide is sourced from PubChem (CID 24961532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).