4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

C23H19F2N3O4S2 — CID 41364499

About 4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 41364499) has the molecular formula C23H19F2N3O4S2 and a molecular weight of 503.55 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 41364499
• Molecular Formula: C23H19F2N3O4S2
• Molecular Weight: 503.55 g/mol
• Exact Mass: 503.08
• IUPAC Name: 4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
• SMILES: CN(C1CC1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3c(F)cc(F)cc3s2)cc1
• InChI: InChI=1S/C23H19F2N3O4S2/c1-27(16-6-7-16)34(30,31)18-8-4-14(5-9-18)22(29)28(13-17-3-2-10-32-17)23-26-21-19(25)11-15(24)12-20(21)33-23/h2-5,8-12,16H,6-7,13H2,1H3
• InChIKey: AEWVYNUHEFAVFC-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 83.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.55
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (CID 41364499) is 4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

What is the SMILES notation for 4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The canonical SMILES for 4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is CN(C1CC1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3c(F)cc(F)cc3s2)cc1.

What is the InChIKey of 4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The InChIKey is AEWVYNUHEFAVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O4S2/c1-27(16-6-7-16)34(30,31)18-8-4-14(5-9-18)22(29)28(13-17-3-2-10-32-17)23-26-21-19(25)11-15(24)12-20(21)33-23/h2-5,8-12,16H,6-7,13H2,1H3.

What are the key properties of 4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 503.55 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[cyclopropyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 41364499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).