2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C19H13F6N3O3S — CID 56933051

IUPAC2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(S(=O)(=O)c2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cn3)cc2)cn1
InChIInChI=1S/C19H13F6N3O3S/c20-18(21,22)17(29,19(23,24)25)12-3-7-15(27-9-12)11-1-4-13(5-2-11)32(30,31)14-6-8-16(26)28-10-14/h1-10,29H,(H2,26,28)
InChIKeyOWHJVXHDOFJZEK-UHFFFAOYSA-N
MW477.39 g/mol
LogP3.87
Rot. Bonds4

About 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 56933051) has the molecular formula C19H13F6N3O3S and a molecular weight of 477.39 g/mol. Its IUPAC name is 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID56933051
Molecular FormulaC19H13F6N3O3S
Molecular Weight477.39 g/mol
Exact Mass477.06
IUPAC Name2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(S(=O)(=O)c2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cn3)cc2)cn1
InChIInChI=1S/C19H13F6N3O3S/c20-18(21,22)17(29,19(23,24)25)12-3-7-15(27-9-12)11-1-4-13(5-2-11)32(30,31)14-6-8-16(26)28-10-14/h1-10,29H,(H2,26,28)
InChIKeyOWHJVXHDOFJZEK-UHFFFAOYSA-N
XLogP3.87
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 56933051) is 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1ccc(S(=O)(=O)c2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cn3)cc2)cn1.
What is the InChIKey of 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is OWHJVXHDOFJZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N3O3S/c20-18(21,22)17(29,19(23,24)25)12-3-7-15(27-9-12)11-1-4-13(5-2-11)32(30,31)14-6-8-16(26)28-10-14/h1-10,29H,(H2,26,28).
What are the key properties of 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 477.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 56933051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).