1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide

C22H22ClN5O3S2 — CID 151956640

About 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide

1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide (PubChem CID 151956640) has the molecular formula C22H22ClN5O3S2 and a molecular weight of 504.04 g/mol. Its IUPAC name is 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide.

Molecular Properties

• Compound Name: 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
• PubChem CID: 151956640
• Molecular Formula: C22H22ClN5O3S2
• Molecular Weight: 504.04 g/mol
• Exact Mass: 503.09
• IUPAC Name: 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide
• SMILES: CC(=O)N1CCC2(C1)CN(c1ncc(Cl)s1)c1ccc(S(=O)(=O)NCc3ccccn3)cc12
• InChI: InChI=1S/C22H22ClN5O3S2/c1-15(29)27-9-7-22(13-27)14-28(21-25-12-20(23)32-21)19-6-5-17(10-18(19)22)33(30,31)26-11-16-4-2-3-8-24-16/h2-6,8,10,12,26H,7,9,11,13-14H2,1H3
• InChIKey: TXTXNHMAEMDHBJ-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.04
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?

The IUPAC name of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide (CID 151956640) is 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide.

What is the SMILES notation for 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?

The canonical SMILES for 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide is CC(=O)N1CCC2(C1)CN(c1ncc(Cl)s1)c1ccc(S(=O)(=O)NCc3ccccn3)cc12.

What is the InChIKey of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?

The InChIKey is TXTXNHMAEMDHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O3S2/c1-15(29)27-9-7-22(13-27)14-28(21-25-12-20(23)32-21)19-6-5-17(10-18(19)22)33(30,31)26-11-16-4-2-3-8-24-16/h2-6,8,10,12,26H,7,9,11,13-14H2,1H3.

What are the key properties of 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide?

1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide has a molecular weight of 504.04 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-acetyl-1-(5-chloro-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)spiro[2H-indole-3,3'-pyrrolidine]-5-sulfonamide is sourced from PubChem (CID 151956640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).