1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide

C17H15N3O5S — CID 110601933

About 1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide

1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide (PubChem CID 110601933) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

• Compound Name: 1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide
• PubChem CID: 110601933
• Molecular Formula: C17H15N3O5S
• Molecular Weight: 373.39 g/mol
• Exact Mass: 373.07
• IUPAC Name: 1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide
• SMILES: CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc4oc(=O)n(C)c4c3)ccc21
• InChI: InChI=1S/C17H15N3O5S/c1-19-13-5-4-12(7-10(13)8-16(19)21)26(23,24)18-11-3-6-15-14(9-11)20(2)17(22)25-15/h3-7,9,18H,8H2,1-2H3
• InChIKey: OAOPAQMLQZWWJT-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 101.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.39
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide?

The IUPAC name of 1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide (CID 110601933) is 1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide.

What is the SMILES notation for 1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide?

The canonical SMILES for 1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc4oc(=O)n(C)c4c3)ccc21.

What is the InChIKey of 1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide?

The InChIKey is OAOPAQMLQZWWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-19-13-5-4-12(7-10(13)8-16(19)21)26(23,24)18-11-3-6-15-14(9-11)20(2)17(22)25-15/h3-7,9,18H,8H2,1-2H3.

What are the key properties of 1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide?

1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 373.39 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 110601933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).