2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide

C21H18F3N5O2S — CID 142717768

IUPAC2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide
SMILESCCCc1ccc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)cc1S(N)(=O)=O
InChIInChI=1S/C21H18F3N5O2S/c1-2-4-13-6-7-14(11-18(13)32(25,30)31)17-12-29-19(27-17)9-8-16(28-29)15-5-3-10-26-20(15)21(22,23)24/h3,5-12H,2,4H2,1H3,(H2,25,30,31)
InChIKeyAZZIOHAMISBDGQ-UHFFFAOYSA-N
MW461.47 g/mol
LogP4.08
Rot. Bonds5

About 2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide

2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide (PubChem CID 142717768) has the molecular formula C21H18F3N5O2S and a molecular weight of 461.47 g/mol. Its IUPAC name is 2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide
PubChem CID142717768
Molecular FormulaC21H18F3N5O2S
Molecular Weight461.47 g/mol
Exact Mass461.11
IUPAC Name2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide
SMILESCCCc1ccc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)cc1S(N)(=O)=O
InChIInChI=1S/C21H18F3N5O2S/c1-2-4-13-6-7-14(11-18(13)32(25,30)31)17-12-29-19(27-17)9-8-16(28-29)15-5-3-10-26-20(15)21(22,23)24/h3,5-12H,2,4H2,1H3,(H2,25,30,31)
InChIKeyAZZIOHAMISBDGQ-UHFFFAOYSA-N
XLogP4.08
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide?
The IUPAC name of 2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide (CID 142717768) is 2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide?
The canonical SMILES for 2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide is CCCc1ccc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)cc1S(N)(=O)=O.
What is the InChIKey of 2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide?
The InChIKey is AZZIOHAMISBDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2S/c1-2-4-13-6-7-14(11-18(13)32(25,30)31)17-12-29-19(27-17)9-8-16(28-29)15-5-3-10-26-20(15)21(22,23)24/h3,5-12H,2,4H2,1H3,(H2,25,30,31).
What are the key properties of 2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide?
2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide has a molecular weight of 461.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 142717768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).