6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide

C24H23ClFN3O3S — CID 71151865

About 6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 71151865) has the molecular formula C24H23ClFN3O3S and a molecular weight of 487.98 g/mol. Its IUPAC name is 6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

• Compound Name: 6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide
• PubChem CID: 71151865
• Molecular Formula: C24H23ClFN3O3S
• Molecular Weight: 487.98 g/mol
• Exact Mass: 487.11
• IUPAC Name: 6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide
• SMILES: O=S(=O)(NC1CCN(CCCc2noc3cc(F)ccc23)C1)c1ccc2cc(Cl)ccc2c1
• InChI: InChI=1S/C24H23ClFN3O3S/c25-18-5-3-17-13-21(7-4-16(17)12-18)33(30,31)28-20-9-11-29(15-20)10-1-2-23-22-8-6-19(26)14-24(22)32-27-23/h3-8,12-14,20,28H,1-2,9-11,15H2
• InChIKey: JWXHYTFTGKMFJN-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.98
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide?

The IUPAC name of 6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 71151865) is 6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide.

What is the SMILES notation for 6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide?

The canonical SMILES for 6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide is O=S(=O)(NC1CCN(CCCc2noc3cc(F)ccc23)C1)c1ccc2cc(Cl)ccc2c1.

What is the InChIKey of 6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide?

The InChIKey is JWXHYTFTGKMFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O3S/c25-18-5-3-17-13-21(7-4-16(17)12-18)33(30,31)28-20-9-11-29(15-20)10-1-2-23-22-8-6-19(26)14-24(22)32-27-23/h3-8,12-14,20,28H,1-2,9-11,15H2.

What are the key properties of 6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide?

6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 487.98 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 71151865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).