N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide

C22H20F3N3O4S — CID 166653957

IUPACN-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(OC3CCOC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C22H20F3N3O4S/c1-14-5-2-3-6-16(14)21-17(22(23,24)25)9-10-18(26-21)28-33(29,30)20-8-4-7-19(27-20)32-15-11-12-31-13-15/h2-10,15H,11-13H2,1H3,(H,26,28)
InChIKeyUELBAZULMFFZDO-UHFFFAOYSA-N
MW479.48 g/mol
LogP4.44
Rot. Bonds6

About N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide

N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide (PubChem CID 166653957) has the molecular formula C22H20F3N3O4S and a molecular weight of 479.48 g/mol. Its IUPAC name is N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide
PubChem CID166653957
Molecular FormulaC22H20F3N3O4S
Molecular Weight479.48 g/mol
Exact Mass479.11
IUPAC NameN-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cccc(OC3CCOC3)n2)ccc1C(F)(F)F
InChIInChI=1S/C22H20F3N3O4S/c1-14-5-2-3-6-16(14)21-17(22(23,24)25)9-10-18(26-21)28-33(29,30)20-8-4-7-19(27-20)32-15-11-12-31-13-15/h2-10,15H,11-13H2,1H3,(H,26,28)
InChIKeyUELBAZULMFFZDO-UHFFFAOYSA-N
XLogP4.44
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide?
The IUPAC name of N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide (CID 166653957) is N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide.
What is the SMILES notation for N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide?
The canonical SMILES for N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide is Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(OC3CCOC3)n2)ccc1C(F)(F)F.
What is the InChIKey of N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide?
The InChIKey is UELBAZULMFFZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4S/c1-14-5-2-3-6-16(14)21-17(22(23,24)25)9-10-18(26-21)28-33(29,30)20-8-4-7-19(27-20)32-15-11-12-31-13-15/h2-10,15H,11-13H2,1H3,(H,26,28).
What are the key properties of N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide?
N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide has a molecular weight of 479.48 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-(oxolan-3-yloxy)pyridine-2-sulfonamide is sourced from PubChem (CID 166653957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).