2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide

C23H17FN6O3S — CID 16873809

IUPAC2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nnc(-c5ccccn5)n4n3)c2)c(F)c1
InChIInChI=1S/C23H17FN6O3S/c1-33-17-8-10-21(18(24)14-17)34(31,32)29-16-6-4-5-15(13-16)19-9-11-22-26-27-23(30(22)28-19)20-7-2-3-12-25-20/h2-14,29H,1H3
InChIKeyPDSFUNANSYOQRA-UHFFFAOYSA-N
MW476.49 g/mol
LogP3.80
Rot. Bonds6

About 2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide

2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 16873809) has the molecular formula C23H17FN6O3S and a molecular weight of 476.49 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
PubChem CID16873809
Molecular FormulaC23H17FN6O3S
Molecular Weight476.49 g/mol
Exact Mass476.11
IUPAC Name2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nnc(-c5ccccn5)n4n3)c2)c(F)c1
InChIInChI=1S/C23H17FN6O3S/c1-33-17-8-10-21(18(24)14-17)34(31,32)29-16-6-4-5-15(13-16)19-9-11-22-26-27-23(30(22)28-19)20-7-2-3-12-25-20/h2-14,29H,1H3
InChIKeyPDSFUNANSYOQRA-UHFFFAOYSA-N
XLogP3.80
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-fluoro-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16829420
4-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873824
2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524078
4-iodo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 43971717
6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7532820
N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide
CID 7524267
3-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16821322
8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
CID 16873819
3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873629
2,4,5-trimethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873736
2-ethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873744
2-ethoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532764

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 16873809) is 2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nnc(-c5ccccn5)n4n3)c2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is PDSFUNANSYOQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O3S/c1-33-17-8-10-21(18(24)14-17)34(31,32)29-16-6-4-5-15(13-16)19-9-11-22-26-27-23(30(22)28-19)20-7-2-3-12-25-20/h2-14,29H,1H3.
What are the key properties of 2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?
2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 476.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16873809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).