4-[cyclopentyl-(5-methyl-1H-pyrazol-3-yl)amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

C18H20FN5O2S2 — CID 91201767

About 4-[cyclopentyl-(5-methyl-1H-pyrazol-3-yl)amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[cyclopentyl-(5-methyl-1H-pyrazol-3-yl)amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 91201767) has the molecular formula C18H20FN5O2S2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-[cyclopentyl-(5-methyl-1H-pyrazol-3-yl)amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[cyclopentyl-(5-methyl-1H-pyrazol-3-yl)amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 91201767
• Molecular Formula: C18H20FN5O2S2
• Molecular Weight: 421.52 g/mol
• Exact Mass: 421.10
• IUPAC Name: 4-[cyclopentyl-(5-methyl-1H-pyrazol-3-yl)amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: Cc1cc(N(c2ccc(S(=O)(=O)Nc3nccs3)c(F)c2)C2CCCC2)n[nH]1
• InChI: InChI=1S/C18H20FN5O2S2/c1-12-10-17(22-21-12)24(13-4-2-3-5-13)14-6-7-16(15(19)11-14)28(25,26)23-18-20-8-9-27-18/h6-11,13H,2-5H2,1H3,(H,20,23)(H,21,22)
• InChIKey: QXMBIFQARWDNIA-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.52
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[cyclopentyl-(5-methyl-1H-pyrazol-3-yl)amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 91201767) is 4-[cyclopentyl-(5-methyl-1H-pyrazol-3-yl)amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

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

The canonical SMILES for 4-[cyclopentyl-(5-methyl-1H-pyrazol-3-yl)amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1cc(N(c2ccc(S(=O)(=O)Nc3nccs3)c(F)c2)C2CCCC2)n[nH]1.

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

The InChIKey is QXMBIFQARWDNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2S2/c1-12-10-17(22-21-12)24(13-4-2-3-5-13)14-6-7-16(15(19)11-14)28(25,26)23-18-20-8-9-27-18/h6-11,13H,2-5H2,1H3,(H,20,23)(H,21,22).

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

4-[cyclopentyl-(5-methyl-1H-pyrazol-3-yl)amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[cyclopentyl-(5-methyl-1H-pyrazol-3-yl)amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 91201767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).