5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C18H16ClF2N3O2S2 — CID 134585308

About 5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 134585308) has the molecular formula C18H16ClF2N3O2S2 and a molecular weight of 443.93 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 134585308
• Molecular Formula: C18H16ClF2N3O2S2
• Molecular Weight: 443.93 g/mol
• Exact Mass: 443.03
• IUPAC Name: 5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: CCC(Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl)c1ccccc1F
• InChI: InChI=1S/C18H16ClF2N3O2S2/c1-2-15(11-5-3-4-6-13(11)20)23-16-10-14(21)17(9-12(16)19)28(25,26)24-18-22-7-8-27-18/h3-10,15,23H,2H2,1H3,(H,22,24)
• InChIKey: HBBSMJFEJAGCAU-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.93
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 134585308) is 5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCC(Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl)c1ccccc1F.

What is the InChIKey of 5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is HBBSMJFEJAGCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O2S2/c1-2-15(11-5-3-4-6-13(11)20)23-16-10-14(21)17(9-12(16)19)28(25,26)24-18-22-7-8-27-18/h3-10,15,23H,2H2,1H3,(H,22,24).

What are the key properties of 5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 443.93 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 134585308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).