5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide

C10H13ClF3N3O3S — CID 64600553

IUPAC5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cc1Cl
InChIInChI=1S/C10H13ClF3N3O3S/c1-15-9-8(11)4-7(5-16-9)21(18,19)17-2-3-20-6-10(12,13)14/h4-5,17H,2-3,6H2,1H3,(H,15,16)
InChIKeyGSRIJSAPFJEJPR-UHFFFAOYSA-N
MW347.75 g/mol
LogP1.63
Rot. Bonds7

About 5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide

5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide (PubChem CID 64600553) has the molecular formula C10H13ClF3N3O3S and a molecular weight of 347.75 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide
PubChem CID64600553
Molecular FormulaC10H13ClF3N3O3S
Molecular Weight347.75 g/mol
Exact Mass347.03
IUPAC Name5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cc1Cl
InChIInChI=1S/C10H13ClF3N3O3S/c1-15-9-8(11)4-7(5-16-9)21(18,19)17-2-3-20-6-10(12,13)14/h4-5,17H,2-3,6H2,1H3,(H,15,16)
InChIKeyGSRIJSAPFJEJPR-UHFFFAOYSA-N
XLogP1.63
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide (CID 64600553) is 5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide?
The InChIKey is GSRIJSAPFJEJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O3S/c1-15-9-8(11)4-7(5-16-9)21(18,19)17-2-3-20-6-10(12,13)14/h4-5,17H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide?
5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide has a molecular weight of 347.75 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64600553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).