N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

C₁₆H₂₄N₂O₂S — CID 107421962

About N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide

N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (PubChem CID 107421962) has the molecular formula C₁₆H₂₄N₂O₂S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

Molecular Properties

• Compound Name: N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
• PubChem CID: 107421962
• Molecular Formula: C₁₆H₂₄N₂O₂S
• Molecular Weight: 308.45 g/mol
• Exact Mass: 308.16
• IUPAC Name: N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
• SMILES: CC1CCCC(N(C)S(=O)(=O)c2ccc3c(c2)CNC3)C1
• InChI: InChI=1S/C16H24N2O2S/c1-12-4-3-5-15(8-12)18(2)21(19,20)16-7-6-13-10-17-11-14(13)9-16/h6-7,9,12,15,17H,3-5,8,10-11H2,1-2H3
• InChIKey: MATXHWLLERUJJL-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.45
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?

The IUPAC name of N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide (CID 107421962) is N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide.

What is the SMILES notation for N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?

The canonical SMILES for N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is CC1CCCC(N(C)S(=O)(=O)c2ccc3c(c2)CNC3)C1.

What is the InChIKey of N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?

The InChIKey is MATXHWLLERUJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-4-3-5-15(8-12)18(2)21(19,20)16-7-6-13-10-17-11-14(13)9-16/h6-7,9,12,15,17H,3-5,8,10-11H2,1-2H3.

What are the key properties of N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide?

N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide has a molecular weight of 308.45 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide is sourced from PubChem (CID 107421962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107421962 — identifiers, structure, computed properties (public domain)

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