thieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol

C22H17F3N2O3S2 — CID 155109578

IUPACthieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol
SMILESO=S(=O)(c1ccc(CNC(O)c2cc3ccncc3s2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H17F3N2O3S2/c23-22(24,25)17-3-1-2-4-20(17)32(29,30)16-7-5-14(6-8-16)12-27-21(28)18-11-15-9-10-26-13-19(15)31-18/h1-11,13,21,27-28H,12H2
InChIKeyQARMEIHBVURMPC-UHFFFAOYSA-N
MW478.52 g/mol
LogP4.93
Rot. Bonds6

About thieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol

thieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol (PubChem CID 155109578) has the molecular formula C22H17F3N2O3S2 and a molecular weight of 478.52 g/mol. Its IUPAC name is thieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol.

Molecular Properties

Compound Namethieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol
PubChem CID155109578
Molecular FormulaC22H17F3N2O3S2
Molecular Weight478.52 g/mol
Exact Mass478.06
IUPAC Namethieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol
SMILESO=S(=O)(c1ccc(CNC(O)c2cc3ccncc3s2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C22H17F3N2O3S2/c23-22(24,25)17-3-1-2-4-20(17)32(29,30)16-7-5-14(6-8-16)12-27-21(28)18-11-15-9-10-26-13-19(15)31-18/h1-11,13,21,27-28H,12H2
InChIKeyQARMEIHBVURMPC-UHFFFAOYSA-N
XLogP4.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of thieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol?
The IUPAC name of thieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol (CID 155109578) is thieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol.
What is the SMILES notation for thieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol?
The canonical SMILES for thieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol is O=S(=O)(c1ccc(CNC(O)c2cc3ccncc3s2)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of thieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol?
The InChIKey is QARMEIHBVURMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3S2/c23-22(24,25)17-3-1-2-4-20(17)32(29,30)16-7-5-14(6-8-16)12-27-21(28)18-11-15-9-10-26-13-19(15)31-18/h1-11,13,21,27-28H,12H2.
What are the key properties of thieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol?
thieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol has a molecular weight of 478.52 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-c]pyridin-2-yl-[[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]methylamino]methanol is sourced from PubChem (CID 155109578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).