4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide

C23H28F2N4O3S2 — CID 41348682

About 4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide

4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 41348682) has the molecular formula C23H28F2N4O3S2 and a molecular weight of 510.63 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

• Compound Name: 4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
• PubChem CID: 41348682
• Molecular Formula: C23H28F2N4O3S2
• Molecular Weight: 510.63 g/mol
• Exact Mass: 510.16
• IUPAC Name: 4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CCCN(C)C)c2nc3c(F)cc(F)cc3s2)cc1
• InChI: InChI=1S/C23H28F2N4O3S2/c1-5-28(6-2)34(31,32)18-10-8-16(9-11-18)22(30)29(13-7-12-27(3)4)23-26-21-19(25)14-17(24)15-20(21)33-23/h8-11,14-15H,5-7,12-13H2,1-4H3
• InChIKey: KMSSNXILGCXTQF-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 73.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.63
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide?

The IUPAC name of 4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide (CID 41348682) is 4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide.

What is the SMILES notation for 4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide?

The canonical SMILES for 4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CCCN(C)C)c2nc3c(F)cc(F)cc3s2)cc1.

What is the InChIKey of 4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide?

The InChIKey is KMSSNXILGCXTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O3S2/c1-5-28(6-2)34(31,32)18-10-8-16(9-11-18)22(30)29(13-7-12-27(3)4)23-26-21-19(25)14-17(24)15-20(21)33-23/h8-11,14-15H,5-7,12-13H2,1-4H3.

What are the key properties of 4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide?

4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 510.63 g/mol, XLogP of 4.20, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 41348682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).