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

C17H17F2N5O3S — CID 67971007

IUPAC2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C)nn3c2)c1F
InChIInChI=1S/C17H17F2N5O3S/c1-3-6-28(26,27)23-13-5-4-12(18)15(16(13)19)17(25)21-11-8-20-14-7-10(2)22-24(14)9-11/h4-5,7-9,23H,3,6H2,1-2H3,(H,21,25)
InChIKeyWEZAWCUHGFAMJW-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.72
Rot. Bonds6

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

2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide (PubChem CID 67971007) has the molecular formula C17H17F2N5O3S and a molecular weight of 409.42 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide
PubChem CID67971007
Molecular FormulaC17H17F2N5O3S
Molecular Weight409.42 g/mol
Exact Mass409.10
IUPAC Name2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C)nn3c2)c1F
InChIInChI=1S/C17H17F2N5O3S/c1-3-6-28(26,27)23-13-5-4-12(18)15(16(13)19)17(25)21-11-8-20-14-7-10(2)22-24(14)9-11/h4-5,7-9,23H,3,6H2,1-2H3,(H,21,25)
InChIKeyWEZAWCUHGFAMJW-UHFFFAOYSA-N
XLogP2.72
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide
CID 50997675
2,6-difluoro-N-[2-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide
CID 50994977
2,6-difluoro-N-[2-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide
CID 50997680
N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propane-1-sulfonamide
CID 123580553
2,6-difluoro-N-(3-oxo-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide
CID 71552688
1,1-difluorocyclopropane;2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide;molecular hydrogen
CID 143860320
2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 58227760
N-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2,6-difluoro-3-(3-propylsulfonylpropylsulfonylamino)benzamide
CID 68640540
N-[2-chloro-4-fluoro-3-[2-[2-(2-methoxyethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]acetyl]phenyl]propane-1-sulfonamide
CID 149404802
6-fluoro-2-methyl-3-(3-propylsulfonylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 68641267
N-[2,4-difluoro-3-[3-(4-methylimidazol-1-yl)quinoxaline-6-carbonyl]phenyl]propane-1-sulfonamide
CID 71268652
3-(chloromethylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 58251997

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide?
The IUPAC name of 2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide (CID 67971007) is 2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide?
The canonical SMILES for 2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C)nn3c2)c1F.
What is the InChIKey of 2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide?
The InChIKey is WEZAWCUHGFAMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O3S/c1-3-6-28(26,27)23-13-5-4-12(18)15(16(13)19)17(25)21-11-8-20-14-7-10(2)22-24(14)9-11/h4-5,7-9,23H,3,6H2,1-2H3,(H,21,25).
What are the key properties of 2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide?
2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide has a molecular weight of 409.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 67971007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).