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

C16H15F2N5O3S — CID 50997676

IUPAC2,6-difluoro-3-(propylsulfonylamino)-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3ccnn3c2)c1F
InChIInChI=1S/C16H15F2N5O3S/c1-2-7-27(25,26)22-12-4-3-11(17)14(15(12)18)16(24)21-10-8-19-13-5-6-20-23(13)9-10/h3-6,8-9,22H,2,7H2,1H3,(H,21,24)
InChIKeyUKOHGWFGCFOXSV-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.41
Rot. Bonds6

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

2,6-difluoro-3-(propylsulfonylamino)-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide (PubChem CID 50997676) has the molecular formula C16H15F2N5O3S and a molecular weight of 395.39 g/mol. Its IUPAC name is 2,6-difluoro-3-(propylsulfonylamino)-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-3-(propylsulfonylamino)-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide
PubChem CID50997676
Molecular FormulaC16H15F2N5O3S
Molecular Weight395.39 g/mol
Exact Mass395.09
IUPAC Name2,6-difluoro-3-(propylsulfonylamino)-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3ccnn3c2)c1F
InChIInChI=1S/C16H15F2N5O3S/c1-2-7-27(25,26)22-12-4-3-11(17)14(15(12)18)16(24)21-10-8-19-13-5-6-20-23(13)9-10/h3-6,8-9,22H,2,7H2,1H3,(H,21,24)
InChIKeyUKOHGWFGCFOXSV-UHFFFAOYSA-N
XLogP2.41
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-Difluoro-N-(1h-Imidazo[4,5-B]pyridin-6-Yl)-3-[(Propylsulfonyl)amino]benzamide
CID 44199417
[4-(2,4-Difluoro-5-methoxycarbamoyl-phenylamino)-5-isopropyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]-carbamic acid 3-methanesulfonyl-propyl ester
CID 9893493
2,6-difluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonamido)benzamide
CID 44223627
2,6-difluoro-3-(propylsulfonylamino)-N-[2-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzamide
CID 44231244
Imidazo[1,2-b]pyridazine derivative 7
CID 46182706
2-chloro-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-6-fluoro-3-(3-fluoropropylsulfonylamino)benzamide
CID 56951317
N-[2,4-difluoro-3-[8-methyl-2-[(1-methylpyrazol-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]propane-1-sulfonamide
CID 70691959
3-(phenylcarbamoylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 71456646
N-[6-[3-(methanesulfonamido)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclohexanecarboxamide
CID 25130429
2,6-difluoro-3-(propylsulfonamido)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 44199408
2,6-difluoro-3-(propylsulfonamido)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 44199425
2,6-difluoro-N-(3-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide
CID 44223152

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(propylsulfonylamino)-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide?
The IUPAC name of 2,6-difluoro-3-(propylsulfonylamino)-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide (CID 50997676) is 2,6-difluoro-3-(propylsulfonylamino)-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide.
What is the SMILES notation for 2,6-difluoro-3-(propylsulfonylamino)-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide?
The canonical SMILES for 2,6-difluoro-3-(propylsulfonylamino)-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3ccnn3c2)c1F.
What is the InChIKey of 2,6-difluoro-3-(propylsulfonylamino)-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide?
The InChIKey is UKOHGWFGCFOXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O3S/c1-2-7-27(25,26)22-12-4-3-11(17)14(15(12)18)16(24)21-10-8-19-13-5-6-20-23(13)9-10/h3-6,8-9,22H,2,7H2,1H3,(H,21,24).
What are the key properties of 2,6-difluoro-3-(propylsulfonylamino)-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide?
2,6-difluoro-3-(propylsulfonylamino)-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide has a molecular weight of 395.39 g/mol, XLogP of 2.41, 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-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide is sourced from PubChem (CID 50997676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).