6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

C23H22ClFN2O4S — CID 21114322

About 6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 21114322) has the molecular formula C23H22ClFN2O4S and a molecular weight of 476.96 g/mol. Its IUPAC name is 6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

• Compound Name: 6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
• PubChem CID: 21114322
• Molecular Formula: C23H22ClFN2O4S
• Molecular Weight: 476.96 g/mol
• Exact Mass: 476.10
• IUPAC Name: 6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
• SMILES: CC(C)(O)c1ccc(N2CCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1
• InChI: InChI=1S/C23H22ClFN2O4S/c1-23(2,29)16-5-8-21(19(25)13-16)27-10-9-20(22(27)28)26-32(30,31)18-7-4-14-11-17(24)6-3-15(14)12-18/h3-8,11-13,20,26,29H,9-10H2,1-2H3
• InChIKey: DTACGRCJEWHNOC-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 86.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.96
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?

The IUPAC name of 6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 21114322) is 6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.

What is the SMILES notation for 6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?

The canonical SMILES for 6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is CC(C)(O)c1ccc(N2CCC(NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1.

What is the InChIKey of 6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?

The InChIKey is DTACGRCJEWHNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O4S/c1-23(2,29)16-5-8-21(19(25)13-16)27-10-9-20(22(27)28)26-32(30,31)18-7-4-14-11-17(24)6-3-15(14)12-18/h3-8,11-13,20,26,29H,9-10H2,1-2H3.

What are the key properties of 6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?

6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 476.96 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[1-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 21114322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).