4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

C27H22FN3O4S2 — CID 44948958

About 4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide

4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 44948958) has the molecular formula C27H22FN3O4S2 and a molecular weight of 535.62 g/mol. Its IUPAC name is 4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 44948958
• Molecular Formula: C27H22FN3O4S2
• Molecular Weight: 535.62 g/mol
• Exact Mass: 535.10
• IUPAC Name: 4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
• SMILES: CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)cc1
• InChI: InChI=1S/C27H22FN3O4S2/c1-2-31(20-8-4-3-5-9-20)37(33,34)22-15-13-19(14-16-22)26(32)30(18-21-10-7-17-35-21)27-29-25-23(28)11-6-12-24(25)36-27/h3-17H,2,18H2,1H3
• InChIKey: GSZHXWSGKGEYAM-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 83.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.62
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The IUPAC name of 4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide (CID 44948958) is 4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide.

What is the SMILES notation for 4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The canonical SMILES for 4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)cc1.

What is the InChIKey of 4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

The InChIKey is GSZHXWSGKGEYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN3O4S2/c1-2-31(20-8-4-3-5-9-20)37(33,34)22-15-13-19(14-16-22)26(32)30(18-21-10-7-17-35-21)27-29-25-23(28)11-6-12-24(25)36-27/h3-17H,2,18H2,1H3.

What are the key properties of 4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide?

4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 535.62 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[ethyl(phenyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 44948958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).