3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide

C24H21N3O5S2 — CID 121041788

About 3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide

3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide (PubChem CID 121041788) has the molecular formula C24H21N3O5S2 and a molecular weight of 495.58 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide.

Molecular Properties

• Compound Name: 3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
• PubChem CID: 121041788
• Molecular Formula: C24H21N3O5S2
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.09
• IUPAC Name: 3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
• SMILES: CCn1/c(=N/C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)sc2cc3c(cc21)OCCO3
• InChI: InChI=1S/C24H21N3O5S2/c1-2-27-19-14-20-21(32-12-11-31-20)15-22(19)33-24(27)25-23(28)16-7-6-8-17(13-16)26-34(29,30)18-9-4-3-5-10-18/h3-10,13-15,26H,2,11-12H2,1H3/b25-24-
• InChIKey: IDIJUTHBCYSVHQ-IZHYLOQSSA-N
• XLogP: 4.04
• TPSA: 98.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide?

The IUPAC name of 3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide (CID 121041788) is 3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide.

What is the SMILES notation for 3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide?

The canonical SMILES for 3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide is CCn1/c(=N/C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)sc2cc3c(cc21)OCCO3.

What is the InChIKey of 3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide?

The InChIKey is IDIJUTHBCYSVHQ-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H21N3O5S2/c1-2-27-19-14-20-21(32-12-11-31-20)15-22(19)33-24(27)25-23(28)16-7-6-8-17(13-16)26-34(29,30)18-9-4-3-5-10-18/h3-10,13-15,26H,2,11-12H2,1H3/b25-24-.

What are the key properties of 3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide?

3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide has a molecular weight of 495.58 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzenesulfonamido)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 121041788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).