N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide

C27H21Cl2N3O5S2 — CID 124554349

About N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide

N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (PubChem CID 124554349) has the molecular formula C27H21Cl2N3O5S2 and a molecular weight of 602.52 g/mol. Its IUPAC name is N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
• PubChem CID: 124554349
• Molecular Formula: C27H21Cl2N3O5S2
• Molecular Weight: 602.52 g/mol
• Exact Mass: 601.03
• IUPAC Name: N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1
• InChI: InChI=1S/C27H21Cl2N3O5S2/c28-19-7-12-24(23(29)14-19)31-39(35,36)22-10-8-20(9-11-22)30-26(34)17-3-5-18(6-4-17)27-32(25(33)16-38-27)15-21-2-1-13-37-21/h1-14,27,31H,15-16H2,(H,30,34)/t27-/m1/s1
• InChIKey: BETMXKCRMZTWNV-HHHXNRCGSA-N
• XLogP: 6.41
• TPSA: 108.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.52
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?

The IUPAC name of N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (CID 124554349) is N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.

What is the SMILES notation for N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?

The canonical SMILES for N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1.

What is the InChIKey of N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?

The InChIKey is BETMXKCRMZTWNV-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H21Cl2N3O5S2/c28-19-7-12-24(23(29)14-19)31-39(35,36)22-10-8-20(9-11-22)30-26(34)17-3-5-18(6-4-17)27-32(25(33)16-38-27)15-21-2-1-13-37-21/h1-14,27,31H,15-16H2,(H,30,34)/t27-/m1/s1.

What are the key properties of N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?

N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 602.52 g/mol, XLogP of 6.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 124554349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).