4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide

C15H14F2N4O3S — CID 162523924

IUPAC4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2nccc3[nH]nc(OC(F)F)c23)cc1C
InChIInChI=1S/C15H14F2N4O3S/c1-8-7-9(3-4-11(8)25(22,23)18-2)13-12-10(5-6-19-13)20-21-14(12)24-15(16)17/h3-7,15,18H,1-2H3,(H,20,21)
InChIKeyLWMPJCKLICKNJN-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.44
Rot. Bonds5

About 4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide

4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide (PubChem CID 162523924) has the molecular formula C15H14F2N4O3S and a molecular weight of 368.37 g/mol. Its IUPAC name is 4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide
PubChem CID162523924
Molecular FormulaC15H14F2N4O3S
Molecular Weight368.37 g/mol
Exact Mass368.08
IUPAC Name4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2nccc3[nH]nc(OC(F)F)c23)cc1C
InChIInChI=1S/C15H14F2N4O3S/c1-8-7-9(3-4-11(8)25(22,23)18-2)13-12-10(5-6-19-13)20-21-14(12)24-15(16)17/h3-7,15,18H,1-2H3,(H,20,21)
InChIKeyLWMPJCKLICKNJN-UHFFFAOYSA-N
XLogP2.44
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 53318167
4-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine
CID 56942079
4-methoxy-3-(3-methylsulfonylphenyl)-1H-pyrazolo[4,3-c]pyridine
CID 66825522
4-methoxy-3-[2-(trifluoromethyl)pyridin-4-yl]-1H-pyrazolo[4,3-c]pyridine
CID 66829080
4-methoxy-3-(4-methylsulfonylphenyl)-1H-pyrazolo[4,3-c]pyridine
CID 68069650
US9718825, Example 668
CID 136213559
US9718825, Example 671
CID 136213562
US9718825, Example 674
CID 136213565
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71790789
US12565497, Example 38
CID 162523930
US12565497, Example 35
CID 162523937
US12565497, Example 27
CID 162523946

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide (CID 162523924) is 4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2nccc3[nH]nc(OC(F)F)c23)cc1C.
What is the InChIKey of 4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide?
The InChIKey is LWMPJCKLICKNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O3S/c1-8-7-9(3-4-11(8)25(22,23)18-2)13-12-10(5-6-19-13)20-21-14(12)24-15(16)17/h3-7,15,18H,1-2H3,(H,20,21).
What are the key properties of 4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide?
4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide has a molecular weight of 368.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxy)-1H-pyrazolo[4,3-c]pyridin-4-yl]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 162523924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).