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

C9H11ClF3N3O3S — CID 64600552

IUPAC6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cc1Cl
InChIInChI=1S/C9H11ClF3N3O3S/c10-7-3-6(4-15-8(7)14)20(17,18)16-1-2-19-5-9(11,12)13/h3-4,16H,1-2,5H2,(H2,14,15)
InChIKeyVNUDHHDASXDRFF-UHFFFAOYSA-N
MW333.72 g/mol
LogP1.17
Rot. Bonds6

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

6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide (PubChem CID 64600552) has the molecular formula C9H11ClF3N3O3S and a molecular weight of 333.72 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide
PubChem CID64600552
Molecular FormulaC9H11ClF3N3O3S
Molecular Weight333.72 g/mol
Exact Mass333.02
IUPAC Name6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cc1Cl
InChIInChI=1S/C9H11ClF3N3O3S/c10-7-3-6(4-15-8(7)14)20(17,18)16-1-2-19-5-9(11,12)13/h3-4,16H,1-2,5H2,(H2,14,15)
InChIKeyVNUDHHDASXDRFF-UHFFFAOYSA-N
XLogP1.17
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.72
LogP ≤ 51.17
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 6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide (CID 64600552) is 6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide is Nc1ncc(S(=O)(=O)NCCOCC(F)(F)F)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide?
The InChIKey is VNUDHHDASXDRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O3S/c10-7-3-6(4-15-8(7)14)20(17,18)16-1-2-19-5-9(11,12)13/h3-4,16H,1-2,5H2,(H2,14,15).
What are the key properties of 6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide?
6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide has a molecular weight of 333.72 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64600552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).