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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Related Compounds

2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide
CID 69189183
2-[1-(2,3-dichlorophenyl)sulfonylpiperidin-3-yl]-N-(4-methylpiperidin-1-yl)acetamide
CID 69169149
[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 134374890
2-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-N'-(2,4-dichlorophenyl)acetohydrazide
CID 24960427
(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
CID 27210471
2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide
CID 24962602
N-[[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]cyclooctanecarboxamide
CID 173136420
[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 66570215
2-[[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120894316
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
1-cyclooctyl-3-[[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]urea;methane
CID 173136289

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).