N-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide

C8H8ClF3N2O2S — CID 87984191

IUPACN-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C8H8ClF3N2O2S/c1-2-17(15,16)14-7-5(8(10,11)12)3-4-6(9)13-7/h3-4H,2H2,1H3,(H,13,14)
InChIKeyMPCWCRYVYBPEHV-UHFFFAOYSA-N
MW288.68 g/mol
LogP2.52
Rot. Bonds3

About N-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide

N-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide (PubChem CID 87984191) has the molecular formula C8H8ClF3N2O2S and a molecular weight of 288.68 g/mol. Its IUPAC name is N-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide
PubChem CID87984191
Molecular FormulaC8H8ClF3N2O2S
Molecular Weight288.68 g/mol
Exact Mass287.99
IUPAC NameN-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1nc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C8H8ClF3N2O2S/c1-2-17(15,16)14-7-5(8(10,11)12)3-4-6(9)13-7/h3-4H,2H2,1H3,(H,13,14)
InChIKeyMPCWCRYVYBPEHV-UHFFFAOYSA-N
XLogP2.52
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.68
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide (CID 87984191) is N-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1nc(Cl)ccc1C(F)(F)F.
What is the InChIKey of N-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide?
The InChIKey is MPCWCRYVYBPEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O2S/c1-2-17(15,16)14-7-5(8(10,11)12)3-4-6(9)13-7/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of N-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide?
N-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide has a molecular weight of 288.68 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-3-(trifluoromethyl)-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 87984191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).