N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide

C₁₄H₁₇N₃O₃S — CID 154738926

About N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide

N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 154738926) has the molecular formula C₁₄H₁₇N₃O₃S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide
• PubChem CID: 154738926
• Molecular Formula: C₁₄H₁₇N₃O₃S
• Molecular Weight: 307.38 g/mol
• Exact Mass: 307.10
• IUPAC Name: N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide
• SMILES: COc1cccc2c1CCC2NS(=O)(=O)c1cnn(C)c1
• InChI: InChI=1S/C14H17N3O3S/c1-17-9-10(8-15-17)21(18,19)16-13-7-6-12-11(13)4-3-5-14(12)20-2/h3-5,8-9,13,16H,6-7H2,1-2H3
• InChIKey: SIHIHSICJUMMCT-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.38
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide?

The IUPAC name of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide (CID 154738926) is N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide.

What is the SMILES notation for N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide?

The canonical SMILES for N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide is COc1cccc2c1CCC2NS(=O)(=O)c1cnn(C)c1.

What is the InChIKey of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide?

The InChIKey is SIHIHSICJUMMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-17-9-10(8-15-17)21(18,19)16-13-7-6-12-11(13)4-3-5-14(12)20-2/h3-5,8-9,13,16H,6-7H2,1-2H3.

What are the key properties of N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide?

N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 154738926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154738926 — identifiers, structure, computed properties (public domain)

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