2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide

C21H17Cl2N5O4S — CID 25268093

About 2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide

2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide (PubChem CID 25268093) has the molecular formula C21H17Cl2N5O4S and a molecular weight of 506.37 g/mol. Its IUPAC name is 2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
• PubChem CID: 25268093
• Molecular Formula: C21H17Cl2N5O4S
• Molecular Weight: 506.37 g/mol
• Exact Mass: 505.04
• IUPAC Name: 2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
• SMILES: CS(=O)(=NC(N)=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1
• InChI: InChI=1S/C21H17Cl2N5O4S/c1-33(32,28-21(24)31)15-6-2-12(3-7-15)19(29)26-17-8-4-13(22)10-16(17)20(30)27-18-9-5-14(23)11-25-18/h2-11H,1H3,(H2,24,31)(H,26,29)(H,25,27,30)
• InChIKey: JNRQXTXAIBZIMJ-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 143.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.37
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide?

The IUPAC name of 2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide (CID 25268093) is 2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide.

What is the SMILES notation for 2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide?

The canonical SMILES for 2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide is CS(=O)(=NC(N)=O)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.

What is the InChIKey of 2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide?

The InChIKey is JNRQXTXAIBZIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5O4S/c1-33(32,28-21(24)31)15-6-2-12(3-7-15)19(29)26-17-8-4-13(22)10-16(17)20(30)27-18-9-5-14(23)11-25-18/h2-11H,1H3,(H2,24,31)(H,26,29)(H,25,27,30).

What are the key properties of 2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide?

2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide has a molecular weight of 506.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(N-carbamoyl-S-methylsulfonimidoyl)benzoyl]amino]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 25268093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).