4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

C20H18FN5O2S2 — CID 91239186

About 4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 91239186) has the molecular formula C20H18FN5O2S2 and a molecular weight of 443.53 g/mol. Its IUPAC name is 4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 91239186
• Molecular Formula: C20H18FN5O2S2
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.09
• IUPAC Name: 4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: Cc1cccc(N(c2ccc(S(=O)(=O)Nc3nccs3)c(F)c2)c2ccn[nH]2)c1C
• InChI: InChI=1S/C20H18FN5O2S2/c1-13-4-3-5-17(14(13)2)26(19-8-9-23-24-19)15-6-7-18(16(21)12-15)30(27,28)25-20-22-10-11-29-20/h3-12H,1-2H3,(H,22,25)(H,23,24)
• InChIKey: FCQQBHRKGGOGCA-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 91239186) is 4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1cccc(N(c2ccc(S(=O)(=O)Nc3nccs3)c(F)c2)c2ccn[nH]2)c1C.

What is the InChIKey of 4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is FCQQBHRKGGOGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S2/c1-13-4-3-5-17(14(13)2)26(19-8-9-23-24-19)15-6-7-18(16(21)12-15)30(27,28)25-20-22-10-11-29-20/h3-12H,1-2H3,(H,22,25)(H,23,24).

What are the key properties of 4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 443.53 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,3-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 91239186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).