5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide

C8H7Cl2F3N2O2S2 — CID 113239619

IUPAC5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCSC(F)(F)F)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2F3N2O2S2/c9-6-3-5(4-14-7(6)10)19(16,17)15-1-2-18-8(11,12)13/h3-4,15H,1-2H2
InChIKeyKFNOKGHXIBLPBM-UHFFFAOYSA-N
MW355.19 g/mol
LogP2.92
Rot. Bonds5

About 5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide

5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide (PubChem CID 113239619) has the molecular formula C8H7Cl2F3N2O2S2 and a molecular weight of 355.19 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
PubChem CID113239619
Molecular FormulaC8H7Cl2F3N2O2S2
Molecular Weight355.19 g/mol
Exact Mass353.93
IUPAC Name5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCSC(F)(F)F)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2F3N2O2S2/c9-6-3-5(4-14-7(6)10)19(16,17)15-1-2-18-8(11,12)13/h3-4,15H,1-2H2
InChIKeyKFNOKGHXIBLPBM-UHFFFAOYSA-N
XLogP2.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106429802
6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 114187255
3-bromo-4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106432524
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
CID 64608025
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115641392
6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106432842
N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide
CID 115641375

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide (CID 113239619) is 5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide is O=S(=O)(NCCSC(F)(F)F)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is KFNOKGHXIBLPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F3N2O2S2/c9-6-3-5(4-14-7(6)10)19(16,17)15-1-2-18-8(11,12)13/h3-4,15H,1-2H2.
What are the key properties of 5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 355.19 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 113239619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).