2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide

C17H14F5N5O3S — CID 50994972

IUPAC2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C(F)(F)F)nn3c2)c1F
InChIInChI=1S/C17H14F5N5O3S/c1-2-5-31(29,30)26-11-4-3-10(18)14(15(11)19)16(28)24-9-7-23-13-6-12(17(20,21)22)25-27(13)8-9/h3-4,6-8,26H,2,5H2,1H3,(H,24,28)
InChIKeyMKSPKDSXHMEZTF-UHFFFAOYSA-N
MW463.39 g/mol
LogP3.43
Rot. Bonds6

About 2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide

2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide (PubChem CID 50994972) has the molecular formula C17H14F5N5O3S and a molecular weight of 463.39 g/mol. Its IUPAC name is 2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide
PubChem CID50994972
Molecular FormulaC17H14F5N5O3S
Molecular Weight463.39 g/mol
Exact Mass463.07
IUPAC Name2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C(F)(F)F)nn3c2)c1F
InChIInChI=1S/C17H14F5N5O3S/c1-2-5-31(29,30)26-11-4-3-10(18)14(15(11)19)16(28)24-9-7-23-13-6-12(17(20,21)22)25-27(13)8-9/h3-4,6-8,26H,2,5H2,1H3,(H,24,28)
InChIKeyMKSPKDSXHMEZTF-UHFFFAOYSA-N
XLogP3.43
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide 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 2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide?
The IUPAC name of 2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide (CID 50994972) is 2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for 2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C(F)(F)F)nn3c2)c1F.
What is the InChIKey of 2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide?
The InChIKey is MKSPKDSXHMEZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N5O3S/c1-2-5-31(29,30)26-11-4-3-10(18)14(15(11)19)16(28)24-9-7-23-13-6-12(17(20,21)22)25-27(13)8-9/h3-4,6-8,26H,2,5H2,1H3,(H,24,28).
What are the key properties of 2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide?
2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide has a molecular weight of 463.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(propylsulfonylamino)-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 50994972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).