3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide

C39H28Cl2N8O7S4 — CID 159784705

About 3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide

3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide (PubChem CID 159784705) has the molecular formula C39H28Cl2N8O7S4 and a molecular weight of 919.88 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide
• PubChem CID: 159784705
• Molecular Formula: C39H28Cl2N8O7S4
• Molecular Weight: 919.88 g/mol
• Exact Mass: 918.03
• IUPAC Name: 3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide
• SMILES: O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12)c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C20H16N4O4S2.C19H12Cl2N4O3S2/c25-18(13-28-14-5-2-1-3-6-14)23-16-8-9-17(15-7-4-10-21-19(15)16)30(26,27)24-20-22-11-12-29-20;20-13-4-3-11(10-14(13)21)18(26)24-15-5-6-16(12-2-1-7-22-17(12)15)30(27,28)25-19-23-8-9-29-19/h1-12H,13H2,(H,22,24)(H,23,25);1-10H,(H,23,25)(H,24,26)
• InChIKey: NHUNXGBEKVTSIG-UHFFFAOYSA-N
• XLogP: 8.56
• TPSA: 211.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	919.88
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide?

The IUPAC name of 3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide (CID 159784705) is 3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide.

What is the SMILES notation for 3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide?

The canonical SMILES for 3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide is O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12.O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12)c1ccc(Cl)c(Cl)c1.

What is the InChIKey of 3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide?

The InChIKey is NHUNXGBEKVTSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S2.C19H12Cl2N4O3S2/c25-18(13-28-14-5-2-1-3-6-14)23-16-8-9-17(15-7-4-10-21-19(15)16)30(26,27)24-20-22-11-12-29-20;20-13-4-3-11(10-14(13)21)18(26)24-15-5-6-16(12-2-1-7-22-17(12)15)30(27,28)25-19-23-8-9-29-19/h1-12H,13H2,(H,22,24)(H,23,25);1-10H,(H,23,25)(H,24,26).

What are the key properties of 3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide?

3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide has a molecular weight of 919.88 g/mol, XLogP of 8.56, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]benzamide;2-phenoxy-N-[5-(1,3-thiazol-2-ylsulfamoyl)quinolin-8-yl]acetamide is sourced from PubChem (CID 159784705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).