2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide

C17H16F5N5O5S — CID 18366176

IUPAC2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cnc(OC)n2nc(NS(=O)(=O)c3c(OC(CF)CF)cccc3C(F)(F)F)nc12
InChIInChI=1S/C17H16F5N5O5S/c1-30-12-8-23-16(31-2)27-14(12)24-15(25-27)26-33(28,29)13-10(17(20,21)22)4-3-5-11(13)32-9(6-18)7-19/h3-5,8-9H,6-7H2,1-2H3,(H,25,26)
InChIKeyMYDVGDYPFVQBJB-UHFFFAOYSA-N
MW497.40 g/mol
LogP2.65
Rot. Bonds9

About 2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide

2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 18366176) has the molecular formula C17H16F5N5O5S and a molecular weight of 497.40 g/mol. Its IUPAC name is 2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID18366176
Molecular FormulaC17H16F5N5O5S
Molecular Weight497.40 g/mol
Exact Mass497.08
IUPAC Name2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESCOc1cnc(OC)n2nc(NS(=O)(=O)c3c(OC(CF)CF)cccc3C(F)(F)F)nc12
InChIInChI=1S/C17H16F5N5O5S/c1-30-12-8-23-16(31-2)27-14(12)24-15(25-27)26-33(28,29)13-10(17(20,21)22)4-3-5-11(13)32-9(6-18)7-19/h3-5,8-9H,6-7H2,1-2H3,(H,25,26)
InChIKeyMYDVGDYPFVQBJB-UHFFFAOYSA-N
XLogP2.65
TPSA116.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 18366176) is 2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide is COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OC(CF)CF)cccc3C(F)(F)F)nc12.
What is the InChIKey of 2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MYDVGDYPFVQBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F5N5O5S/c1-30-12-8-23-16(31-2)27-14(12)24-15(25-27)26-33(28,29)13-10(17(20,21)22)4-3-5-11(13)32-9(6-18)7-19/h3-5,8-9H,6-7H2,1-2H3,(H,25,26).
What are the key properties of 2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide?
2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 497.40 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-difluoropropan-2-yloxy)-N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 18366176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).