N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide

C27H23N3O3S2 — CID 3348543

About N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide

N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 3348543) has the molecular formula C27H23N3O3S2 and a molecular weight of 501.63 g/mol. Its IUPAC name is N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
• PubChem CID: 3348543
• Molecular Formula: C27H23N3O3S2
• Molecular Weight: 501.63 g/mol
• Exact Mass: 501.12
• IUPAC Name: N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
• SMILES: CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2ccc3ccccc3c21
• InChI: InChI=1S/C27H23N3O3S2/c1-3-30-25-23-12-8-7-9-19(23)15-18-24(25)34-27(30)28-26(31)20-13-16-22(17-14-20)35(32,33)29(2)21-10-5-4-6-11-21/h4-18H,3H2,1-2H3/b28-27-
• InChIKey: JQBKXBPTQBTPQF-DQSJHHFOSA-N
• XLogP: 5.44
• TPSA: 71.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.63
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide?

The IUPAC name of N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide (CID 3348543) is N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide.

What is the SMILES notation for N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide?

The canonical SMILES for N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide is CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2ccc3ccccc3c21.

What is the InChIKey of N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide?

The InChIKey is JQBKXBPTQBTPQF-DQSJHHFOSA-N. The full InChI is InChI=1S/C27H23N3O3S2/c1-3-30-25-23-12-8-7-9-19(23)15-18-24(25)34-27(30)28-26(31)20-13-16-22(17-14-20)35(32,33)29(2)21-10-5-4-6-11-21/h4-18H,3H2,1-2H3/b28-27-.

What are the key properties of N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide?

N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 501.63 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3348543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).