4-(2-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)anilino)-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H14ClF2N5O2S2 — CID 90930821

About 4-(2-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)anilino)-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-(2-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)anilino)-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 90930821) has the molecular formula C19H14ClF2N5O2S2 and a molecular weight of 481.94 g/mol. Its IUPAC name is 4-(2-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)anilino)-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-(2-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)anilino)-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 90930821
• Molecular Formula: C19H14ClF2N5O2S2
• Molecular Weight: 481.94 g/mol
• Exact Mass: 481.02
• IUPAC Name: 4-(2-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)anilino)-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: Cc1cc(N(c2ccc(S(=O)(=O)Nc3nccs3)c(F)c2)c2ccc(F)cc2Cl)n[nH]1
• InChI: InChI=1S/C19H14ClF2N5O2S2/c1-11-8-18(25-24-11)27(16-4-2-12(21)9-14(16)20)13-3-5-17(15(22)10-13)31(28,29)26-19-23-6-7-30-19/h2-10H,1H3,(H,23,26)(H,24,25)
• InChIKey: DXYILSOJVSCRIX-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.94
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(2-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)anilino)-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 90930821) is 4-(2-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)anilino)-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

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

The canonical SMILES for 4-(2-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)anilino)-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1cc(N(c2ccc(S(=O)(=O)Nc3nccs3)c(F)c2)c2ccc(F)cc2Cl)n[nH]1.

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

The InChIKey is DXYILSOJVSCRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N5O2S2/c1-11-8-18(25-24-11)27(16-4-2-12(21)9-14(16)20)13-3-5-17(15(22)10-13)31(28,29)26-19-23-6-7-30-19/h2-10H,1H3,(H,23,26)(H,24,25).

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

4-(2-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)anilino)-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 481.94 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-4-fluoro-N-(5-methyl-1H-pyrazol-3-yl)anilino)-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 90930821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).