N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

C18H16N4O4S2 — CID 2812825

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (PubChem CID 2812825) has the molecular formula C18H16N4O4S2 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
• PubChem CID: 2812825
• Molecular Formula: C18H16N4O4S2
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.06
• IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
• SMILES: Cc1c(NS(=O)(=O)c2ccc(-c3ccon3)s2)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C18H16N4O4S2/c1-12-17(18(23)22(21(12)2)13-6-4-3-5-7-13)20-28(24,25)16-9-8-15(27-16)14-10-11-26-19-14/h3-11,20H,1-2H3
• InChIKey: TZPQZRXDCYGCFU-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 99.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?

The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide (CID 2812825) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide.

What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?

The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is Cc1c(NS(=O)(=O)c2ccc(-c3ccon3)s2)c(=O)n(-c2ccccc2)n1C.

What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?

The InChIKey is TZPQZRXDCYGCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S2/c1-12-17(18(23)22(21(12)2)13-6-4-3-5-7-13)20-28(24,25)16-9-8-15(27-16)14-10-11-26-19-14/h3-11,20H,1-2H3.

What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide?

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 416.48 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2812825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).