N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C22H24N4O4S — CID 71797597

About N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 71797597) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

• Compound Name: N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• PubChem CID: 71797597
• Molecular Formula: C22H24N4O4S
• Molecular Weight: 440.53 g/mol
• Exact Mass: 440.15
• IUPAC Name: N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• SMILES: O=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C22H24N4O4S/c27-31(28,19-5-6-21-22(14-19)30-12-11-29-21)24-15-17-13-20(16-7-9-23-10-8-16)26(25-17)18-3-1-2-4-18/h5-10,13-14,18,24H,1-4,11-12,15H2
• InChIKey: NQQGQROLWRVGGQ-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 95.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.53
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 71797597) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc2c(c1)OCCO2.

What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

The InChIKey is NQQGQROLWRVGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c27-31(28,19-5-6-21-22(14-19)30-12-11-29-21)24-15-17-13-20(16-7-9-23-10-8-16)26(25-17)18-3-1-2-4-18/h5-10,13-14,18,24H,1-4,11-12,15H2.

What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 440.53 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 71797597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).