3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide

C18H16ClFN4O3S2 — CID 147427510

About 3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide

3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide (PubChem CID 147427510) has the molecular formula C18H16ClFN4O3S2 and a molecular weight of 454.94 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide
• PubChem CID: 147427510
• Molecular Formula: C18H16ClFN4O3S2
• Molecular Weight: 454.94 g/mol
• Exact Mass: 454.03
• IUPAC Name: 3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide
• SMILES: Cc1ncsc1CCC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nn1
• InChI: InChI=1S/C18H16ClFN4O3S2/c1-11-18(28-10-21-11)7-6-17(25)16-5-2-12(23-24-16)9-22-29(26,27)13-3-4-15(20)14(19)8-13/h2-5,8,10,22H,6-7,9H2,1H3
• InChIKey: DTRONRRJYMUOKZ-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 101.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.94
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide?

The IUPAC name of 3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide (CID 147427510) is 3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide.

What is the SMILES notation for 3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide?

The canonical SMILES for 3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide is Cc1ncsc1CCC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nn1.

What is the InChIKey of 3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide?

The InChIKey is DTRONRRJYMUOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O3S2/c1-11-18(28-10-21-11)7-6-17(25)16-5-2-12(23-24-16)9-22-29(26,27)13-3-4-15(20)14(19)8-13/h2-5,8,10,22H,6-7,9H2,1H3.

What are the key properties of 3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide?

3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide has a molecular weight of 454.94 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 147427510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).