2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide

C13H15Cl3N2O4S — CID 68987110

IUPAC2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide
SMILESNC(=O)C(OC1CCCNC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H15Cl3N2O4S/c14-8-3-4-9(11(16)10(8)15)23(20,21)13(12(17)19)22-7-2-1-5-18-6-7/h3-4,7,13,18H,1-2,5-6H2,(H2,17,19)
InChIKeyMTASBPANGYHXBM-UHFFFAOYSA-N
MW401.70 g/mol
LogP2.00
Rot. Bonds5

About 2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide

2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide (PubChem CID 68987110) has the molecular formula C13H15Cl3N2O4S and a molecular weight of 401.70 g/mol. Its IUPAC name is 2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide
PubChem CID68987110
Molecular FormulaC13H15Cl3N2O4S
Molecular Weight401.70 g/mol
Exact Mass399.98
IUPAC Name2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide
SMILESNC(=O)C(OC1CCCNC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H15Cl3N2O4S/c14-8-3-4-9(11(16)10(8)15)23(20,21)13(12(17)19)22-7-2-1-5-18-6-7/h3-4,7,13,18H,1-2,5-6H2,(H2,17,19)
InChIKeyMTASBPANGYHXBM-UHFFFAOYSA-N
XLogP2.00
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.70
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide?
The IUPAC name of 2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide (CID 68987110) is 2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide.
What is the SMILES notation for 2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide?
The canonical SMILES for 2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide is NC(=O)C(OC1CCCNC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide?
The InChIKey is MTASBPANGYHXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3N2O4S/c14-8-3-4-9(11(16)10(8)15)23(20,21)13(12(17)19)22-7-2-1-5-18-6-7/h3-4,7,13,18H,1-2,5-6H2,(H2,17,19).
What are the key properties of 2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide?
2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide has a molecular weight of 401.70 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yloxy-2-(2,3,4-trichlorophenyl)sulfonylacetamide is sourced from PubChem (CID 68987110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).