2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol

C18H15F3N4O3S — CID 71715252

IUPAC2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)cn2)nc1)C(F)(F)F
InChIInChI=1S/C18H15F3N4O3S/c1-17(26,18(19,20)21)11-2-5-14(23-8-11)15-6-3-12(9-24-15)29(27,28)13-4-7-16(22)25-10-13/h2-10,26H,1H3,(H2,22,25)
InChIKeyOLLSTZGMQOPNQB-UHFFFAOYSA-N
MW424.40 g/mol
LogP2.72
Rot. Bonds4

About 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol

2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 71715252) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
PubChem CID71715252
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC Name2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)cn2)nc1)C(F)(F)F
InChIInChI=1S/C18H15F3N4O3S/c1-17(26,18(19,20)21)11-2-5-14(23-8-11)15-6-3-12(9-24-15)29(27,28)13-4-7-16(22)25-10-13/h2-10,26H,1H3,(H2,22,25)
InChIKeyOLLSTZGMQOPNQB-UHFFFAOYSA-N
XLogP2.72
TPSA119.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (CID 71715252) is 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)cn2)nc1)C(F)(F)F.
What is the InChIKey of 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OLLSTZGMQOPNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c1-17(26,18(19,20)21)11-2-5-14(23-8-11)15-6-3-12(9-24-15)29(27,28)13-4-7-16(22)25-10-13/h2-10,26H,1H3,(H2,22,25).
What are the key properties of 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 424.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]-2-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 71715252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).