N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide

C10H10ClF3N2O4S — CID 154775491

IUPACN-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NS(=O)(=O)Cc1ccc(Cl)nc1
InChIInChI=1S/C10H10ClF3N2O4S/c11-8-2-1-7(3-15-8)5-21(18,19)16-9(17)4-20-6-10(12,13)14/h1-3H,4-6H2,(H,16,17)
InChIKeyONXZJJLGZUGRSS-UHFFFAOYSA-N
MW346.71 g/mol
LogP1.26
Rot. Bonds6

About N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 154775491) has the molecular formula C10H10ClF3N2O4S and a molecular weight of 346.71 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID154775491
Molecular FormulaC10H10ClF3N2O4S
Molecular Weight346.71 g/mol
Exact Mass346.00
IUPAC NameN-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NS(=O)(=O)Cc1ccc(Cl)nc1
InChIInChI=1S/C10H10ClF3N2O4S/c11-8-2-1-7(3-15-8)5-21(18,19)16-9(17)4-20-6-10(12,13)14/h1-3H,4-6H2,(H,16,17)
InChIKeyONXZJJLGZUGRSS-UHFFFAOYSA-N
XLogP1.26
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.71
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 154775491) is N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NS(=O)(=O)Cc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is ONXZJJLGZUGRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O4S/c11-8-2-1-7(3-15-8)5-21(18,19)16-9(17)4-20-6-10(12,13)14/h1-3H,4-6H2,(H,16,17).
What are the key properties of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 346.71 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 154775491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).