2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C18H27Cl2N3O3S — CID 1301626

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCN(CC(=O)NC1CC(C)(C)NC(C)(C)C1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H27Cl2N3O3S/c1-17(2)9-13(10-18(3,4)22-17)21-16(24)11-23(5)27(25,26)15-8-12(19)6-7-14(15)20/h6-8,13,22H,9-11H2,1-5H3,(H,21,24)
InChIKeyGFQXQWLZOGGYQK-UHFFFAOYSA-N
MW436.41 g/mol
LogP3.04
Rot. Bonds5

About 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 1301626) has the molecular formula C18H27Cl2N3O3S and a molecular weight of 436.41 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID1301626
Molecular FormulaC18H27Cl2N3O3S
Molecular Weight436.41 g/mol
Exact Mass435.12
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCN(CC(=O)NC1CC(C)(C)NC(C)(C)C1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H27Cl2N3O3S/c1-17(2)9-13(10-18(3,4)22-17)21-16(24)11-23(5)27(25,26)15-8-12(19)6-7-14(15)20/h6-8,13,22H,9-11H2,1-5H3,(H,21,24)
InChIKeyGFQXQWLZOGGYQK-UHFFFAOYSA-N
XLogP3.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
CID 4788586
1'-[(2,5-Dichlorophenyl)sulfonyl]-1,4'-bipiperidine-4'-carboxamide
CID 1261937
N~2~-[(2,5-dichlorophenyl)sulfonyl]-N~2~-methyl-N~1~-[3-(4-morpholinyl)propyl]glycinamide
CID 2960907
N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 3157090
2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 4572889
1-(2,5-dichlorophenyl)sulfonyl-N-[[1-(dimethylamino)cyclohexyl]methyl]piperidine-4-carboxamide
CID 17512662
N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 891851
1-{N-[(2,5-dichlorophenyl)sulfonyl]-N-ethylglycyl}piperidine-4-carboxamide
CID 6493391
2-[(2,5-Dichloro-benzenesulfonyl)-ethyl-amino]-N-(3-morpholin-4-yl-propyl)-acetamide
CID 6493538
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylpropanamide
CID 16312810
4-(2,5-Dichlorophenyl)sulfonylpiperazin-2-one
CID 2524974
1-(2,5-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-3-phenylpropyl]piperidine-4-carboxamide
CID 16292035

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 1301626) is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CN(CC(=O)NC1CC(C)(C)NC(C)(C)C1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is GFQXQWLZOGGYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N3O3S/c1-17(2)9-13(10-18(3,4)22-17)21-16(24)11-23(5)27(25,26)15-8-12(19)6-7-14(15)20/h6-8,13,22H,9-11H2,1-5H3,(H,21,24).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 436.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 1301626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).