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

C27H21F2N3O4S2 — CID 44949280

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

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 44949280) has the molecular formula C27H21F2N3O4S2 and a molecular weight of 553.61 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 44949280
• Molecular Formula: C27H21F2N3O4S2
• Molecular Weight: 553.61 g/mol
• Exact Mass: 553.09
• IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
• SMILES: CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3c(F)cc(F)cc3s2)cc1
• InChI: InChI=1S/C27H21F2N3O4S2/c1-2-32(20-7-4-3-5-8-20)38(34,35)22-12-10-18(11-13-22)26(33)31(17-21-9-6-14-36-21)27-30-25-23(29)15-19(28)16-24(25)37-27/h3-16H,2,17H2,1H3
• InChIKey: SLHMNTNSGMMVFH-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 83.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.61
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide (CID 44949280) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide.

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

The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3c(F)cc(F)cc3s2)cc1.

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

The InChIKey is SLHMNTNSGMMVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N3O4S2/c1-2-32(20-7-4-3-5-8-20)38(34,35)22-12-10-18(11-13-22)26(33)31(17-21-9-6-14-36-21)27-30-25-23(29)15-19(28)16-24(25)37-27/h3-16H,2,17H2,1H3.

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

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 553.61 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 44949280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).