5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide

C24H22ClFN4O5S2 — CID 58541508

About 5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 58541508) has the molecular formula C24H22ClFN4O5S2 and a molecular weight of 565.05 g/mol. Its IUPAC name is 5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide
• PubChem CID: 58541508
• Molecular Formula: C24H22ClFN4O5S2
• Molecular Weight: 565.05 g/mol
• Exact Mass: 564.07
• IUPAC Name: 5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide
• SMILES: COc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)cc1CC(=O)Cc1nccs1
• InChI: InChI=1S/C24H22ClFN4O5S2/c1-14-23(24(25)30(2)28-14)37(32,33)29-16-7-8-19(35-22-18(26)5-4-6-20(22)34-3)15(11-16)12-17(31)13-21-27-9-10-36-21/h4-11,29H,12-13H2,1-3H3
• InChIKey: FGHILBLHNSGCRP-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 112.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.05
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide?

The IUPAC name of 5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 58541508) is 5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide.

What is the SMILES notation for 5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide?

The canonical SMILES for 5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide is COc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)cc1CC(=O)Cc1nccs1.

What is the InChIKey of 5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide?

The InChIKey is FGHILBLHNSGCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O5S2/c1-14-23(24(25)30(2)28-14)37(32,33)29-16-7-8-19(35-22-18(26)5-4-6-20(22)34-3)15(11-16)12-17(31)13-21-27-9-10-36-21/h4-11,29H,12-13H2,1-3H3.

What are the key properties of 5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide?

5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 565.05 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 58541508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).