N-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide

C9H9F5N2O3S — CID 75498670

IUPACN-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(F)F)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C9H9F5N2O3S/c10-7(11)4-16-20(17,18)6-1-2-8(15-3-6)19-5-9(12,13)14/h1-3,7,16H,4-5H2
InChIKeyJBHSNUJRYMVBAK-UHFFFAOYSA-N
MW320.24 g/mol
LogP1.57
Rot. Bonds6

About N-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide

N-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide (PubChem CID 75498670) has the molecular formula C9H9F5N2O3S and a molecular weight of 320.24 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
PubChem CID75498670
Molecular FormulaC9H9F5N2O3S
Molecular Weight320.24 g/mol
Exact Mass320.03
IUPAC NameN-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(F)F)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C9H9F5N2O3S/c10-7(11)4-16-20(17,18)6-1-2-8(15-3-6)19-5-9(12,13)14/h1-3,7,16H,4-5H2
InChIKeyJBHSNUJRYMVBAK-UHFFFAOYSA-N
XLogP1.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide (CID 75498670) is N-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide is O=S(=O)(NCC(F)F)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The InChIKey is JBHSNUJRYMVBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2O3S/c10-7(11)4-16-20(17,18)6-1-2-8(15-3-6)19-5-9(12,13)14/h1-3,7,16H,4-5H2.
What are the key properties of N-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
N-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide has a molecular weight of 320.24 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 75498670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).