N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C23H18Cl2N2O5S — CID 43885553

About N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 43885553) has the molecular formula C23H18Cl2N2O5S and a molecular weight of 505.38 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• PubChem CID: 43885553
• Molecular Formula: C23H18Cl2N2O5S
• Molecular Weight: 505.38 g/mol
• Exact Mass: 504.03
• IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
• SMILES: CS(=O)(=O)N1CC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)Oc2ccc(Cl)cc21
• InChI: InChI=1S/C23H18Cl2N2O5S/c1-33(30,31)27-13-21(32-20-10-8-16(25)12-19(20)27)23(29)26-18-9-7-15(24)11-17(18)22(28)14-5-3-2-4-6-14/h2-12,21H,13H2,1H3,(H,26,29)
• InChIKey: DXNDVIQNAXMBNO-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 92.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.38
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 43885553) is N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CS(=O)(=O)N1CC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)Oc2ccc(Cl)cc21.

What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

The InChIKey is DXNDVIQNAXMBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O5S/c1-33(30,31)27-13-21(32-20-10-8-16(25)12-19(20)27)23(29)26-18-9-7-15(24)11-17(18)22(28)14-5-3-2-4-6-14/h2-12,21H,13H2,1H3,(H,26,29).

What are the key properties of N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?

N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 505.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-benzoyl-4-chlorophenyl)-6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 43885553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).