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

C19H20N4O4S — CID 42509464

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

N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 42509464) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• PubChem CID: 42509464
• Molecular Formula: C19H20N4O4S
• Molecular Weight: 400.46 g/mol
• Exact Mass: 400.12
• IUPAC Name: N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• SMILES: Cc1c([C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCO3)cnn1-c1ccccn1
• InChI: InChI=1S/C19H20N4O4S/c1-13(16-12-21-23(14(16)2)19-5-3-4-8-20-19)22-28(24,25)15-6-7-17-18(11-15)27-10-9-26-17/h3-8,11-13,22H,9-10H2,1-2H3/t13-/m0/s1
• InChIKey: MGPDHXRHFCRJED-ZDUSSCGKSA-N
• XLogP: 2.39
• TPSA: 95.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.46
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 42509464) is N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

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

The canonical SMILES for N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1c([C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCO3)cnn1-c1ccccn1.

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

The InChIKey is MGPDHXRHFCRJED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-13(16-12-21-23(14(16)2)19-5-3-4-8-20-19)22-28(24,25)15-6-7-17-18(11-15)27-10-9-26-17/h3-8,11-13,22H,9-10H2,1-2H3/t13-/m0/s1.

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

N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 400.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 42509464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).