N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide

C21H15Cl2N3O4S3 — CID 121045199

About N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide (PubChem CID 121045199) has the molecular formula C21H15Cl2N3O4S3 and a molecular weight of 540.48 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

• Compound Name: N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
• PubChem CID: 121045199
• Molecular Formula: C21H15Cl2N3O4S3
• Molecular Weight: 540.48 g/mol
• Exact Mass: 538.96
• IUPAC Name: N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
• SMILES: COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(-c4cc(Cl)sc4Cl)cs3)cc2)cc1
• InChI: InChI=1S/C21H15Cl2N3O4S3/c1-30-14-6-8-15(9-7-14)33(28,29)26-13-4-2-12(3-5-13)20(27)25-21-24-17(11-31-21)16-10-18(22)32-19(16)23/h2-11,26H,1H3,(H,24,25,27)
• InChIKey: COBWUMANKKMVOS-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 97.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.48
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide?

The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide (CID 121045199) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide.

What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide?

The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide is COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(-c4cc(Cl)sc4Cl)cs3)cc2)cc1.

What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide?

The InChIKey is COBWUMANKKMVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O4S3/c1-30-14-6-8-15(9-7-14)33(28,29)26-13-4-2-12(3-5-13)20(27)25-21-24-17(11-31-21)16-10-18(22)32-19(16)23/h2-11,26H,1H3,(H,24,25,27).

What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide?

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide has a molecular weight of 540.48 g/mol, XLogP of 6.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121045199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).