3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide

C17H12F2N4O3S2 — CID 90571289

About 3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide

3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide (PubChem CID 90571289) has the molecular formula C17H12F2N4O3S2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide
• PubChem CID: 90571289
• Molecular Formula: C17H12F2N4O3S2
• Molecular Weight: 422.44 g/mol
• Exact Mass: 422.03
• IUPAC Name: 3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide
• SMILES: Cc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)n(-c2nc(-c3ccco3)cs2)n1
• InChI: InChI=1S/C17H12F2N4O3S2/c1-10-5-16(22-28(24,25)13-7-11(18)6-12(19)8-13)23(21-10)17-20-14(9-27-17)15-3-2-4-26-15/h2-9,22H,1H3
• InChIKey: ZMQNJNBAQCIPCI-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 90.02 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	422.44
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide?

The IUPAC name of 3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide (CID 90571289) is 3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide.

What is the SMILES notation for 3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide?

The canonical SMILES for 3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)n(-c2nc(-c3ccco3)cs2)n1.

What is the InChIKey of 3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide?

The InChIKey is ZMQNJNBAQCIPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O3S2/c1-10-5-16(22-28(24,25)13-7-11(18)6-12(19)8-13)23(21-10)17-20-14(9-27-17)15-3-2-4-26-15/h2-9,22H,1H3.

What are the key properties of 3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide?

3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide has a molecular weight of 422.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 90571289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).