4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

C18H12ClF4N3O4S2 — CID 87488219

About 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 87488219) has the molecular formula C18H12ClF4N3O4S2 and a molecular weight of 509.89 g/mol. Its IUPAC name is 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
• PubChem CID: 87488219
• Molecular Formula: C18H12ClF4N3O4S2
• Molecular Weight: 509.89 g/mol
• Exact Mass: 508.99
• IUPAC Name: 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
• SMILES: O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2ncc(Cl)s2)c(F)c1
• InChI: InChI=1S/C18H12ClF4N3O4S2/c19-15-9-25-17(31-15)26-32(28,29)14-6-3-11(7-13(14)20)16(27)24-8-10-1-4-12(5-2-10)30-18(21,22)23/h1-7,9H,8H2,(H,24,27)(H,25,26)
• InChIKey: GCCKLCGYDXFCSJ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 97.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.89
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?

The IUPAC name of 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 87488219) is 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

What is the SMILES notation for 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?

The canonical SMILES for 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2ncc(Cl)s2)c(F)c1.

What is the InChIKey of 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?

The InChIKey is GCCKLCGYDXFCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF4N3O4S2/c19-15-9-25-17(31-15)26-32(28,29)14-6-3-11(7-13(14)20)16(27)24-8-10-1-4-12(5-2-10)30-18(21,22)23/h1-7,9H,8H2,(H,24,27)(H,25,26).

What are the key properties of 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?

4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 509.89 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 87488219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).