N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide

C27H24N2O3S2 — CID 46132453

About N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide

N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide (PubChem CID 46132453) has the molecular formula C27H24N2O3S2 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide
• PubChem CID: 46132453
• Molecular Formula: C27H24N2O3S2
• Molecular Weight: 488.63 g/mol
• Exact Mass: 488.12
• IUPAC Name: N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide
• SMILES: Cc1ccc(C)c(N2C(=O)CSC2c2cccc(NS(=O)(=O)c3cccc4ccccc34)c2)c1
• InChI: InChI=1S/C27H24N2O3S2/c1-18-13-14-19(2)24(15-18)29-26(30)17-33-27(29)21-9-5-10-22(16-21)28-34(31,32)25-12-6-8-20-7-3-4-11-23(20)25/h3-16,27-28H,17H2,1-2H3
• InChIKey: FNJYLICMMKBRDW-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.63
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide?

The IUPAC name of N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide (CID 46132453) is N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide.

What is the SMILES notation for N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide?

The canonical SMILES for N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide is Cc1ccc(C)c(N2C(=O)CSC2c2cccc(NS(=O)(=O)c3cccc4ccccc34)c2)c1.

What is the InChIKey of N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide?

The InChIKey is FNJYLICMMKBRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3S2/c1-18-13-14-19(2)24(15-18)29-26(30)17-33-27(29)21-9-5-10-22(16-21)28-34(31,32)25-12-6-8-20-7-3-4-11-23(20)25/h3-16,27-28H,17H2,1-2H3.

What are the key properties of N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide?

N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide has a molecular weight of 488.63 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 46132453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).