4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide

C21H19FN4O3S — CID 16825011

IUPAC4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc(F)c(C)c4)c3)cn2n1
InChIInChI=1S/C21H19FN4O3S/c1-13-4-5-15(19-12-26-20(23-19)8-9-21(24-26)29-3)11-18(13)25-30(27,28)16-6-7-17(22)14(2)10-16/h4-12,25H,1-3H3
InChIKeyMPMBBVYMPDKYAM-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.96
Rot. Bonds5

About 4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide

4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide (PubChem CID 16825011) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide
PubChem CID16825011
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC Name4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc(F)c(C)c4)c3)cn2n1
InChIInChI=1S/C21H19FN4O3S/c1-13-4-5-15(19-12-26-20(23-19)8-9-21(24-26)29-3)11-18(13)25-30(27,28)16-6-7-17(22)14(2)10-16/h4-12,25H,1-3H3
InChIKeyMPMBBVYMPDKYAM-UHFFFAOYSA-N
XLogP3.96
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide (CID 16825011) is 4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide is COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc(F)c(C)c4)c3)cn2n1.
What is the InChIKey of 4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide?
The InChIKey is MPMBBVYMPDKYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c1-13-4-5-15(19-12-26-20(23-19)8-9-21(24-26)29-3)11-18(13)25-30(27,28)16-6-7-17(22)14(2)10-16/h4-12,25H,1-3H3.
What are the key properties of 4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide has a molecular weight of 426.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 16825011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).