N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide

C22H17Cl2N3O3S2 — CID 41319496

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 41319496) has the molecular formula C22H17Cl2N3O3S2 and a molecular weight of 506.44 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 41319496
• Molecular Formula: C22H17Cl2N3O3S2
• Molecular Weight: 506.44 g/mol
• Exact Mass: 505.01
• IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide
• SMILES: Cc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc12
• InChI: InChI=1S/C22H17Cl2N3O3S2/c1-14-9-17(24)10-19-21(14)26-22(31-19)27(12-15-3-2-8-25-11-15)20(28)13-32(29,30)18-6-4-16(23)5-7-18/h2-11H,12-13H2,1H3
• InChIKey: FZCMKRRRWSPYNZ-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 80.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.44
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide (CID 41319496) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide is Cc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc12.

What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is FZCMKRRRWSPYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3S2/c1-14-9-17(24)10-19-21(14)26-22(31-19)27(12-15-3-2-8-25-11-15)20(28)13-32(29,30)18-6-4-16(23)5-7-18/h2-11H,12-13H2,1H3.

What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide?

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 506.44 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 41319496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).