(NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide

C16H14N2O4S3 — CID 16938177

About (NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide

(NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide (PubChem CID 16938177) has the molecular formula C16H14N2O4S3 and a molecular weight of 394.50 g/mol. Its IUPAC name is (NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: (NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide
• PubChem CID: 16938177
• Molecular Formula: C16H14N2O4S3
• Molecular Weight: 394.50 g/mol
• Exact Mass: 394.01
• IUPAC Name: (NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide
• SMILES: C=CCn1/c(=N/S(=O)(=O)c2cccs2)sc2cc3c(cc21)OCCO3
• InChI: InChI=1S/C16H14N2O4S3/c1-2-5-18-11-9-12-13(22-7-6-21-12)10-14(11)24-16(18)17-25(19,20)15-4-3-8-23-15/h2-4,8-10H,1,5-7H2/b17-16-
• InChIKey: JEGIAXRAQLICPN-MSUUIHNZSA-N
• XLogP: 3.01
• TPSA: 69.89 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.50
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide?

The IUPAC name of (NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide (CID 16938177) is (NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide.

What is the SMILES notation for (NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide?

The canonical SMILES for (NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide is C=CCn1/c(=N/S(=O)(=O)c2cccs2)sc2cc3c(cc21)OCCO3.

What is the InChIKey of (NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide?

The InChIKey is JEGIAXRAQLICPN-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2O4S3/c1-2-5-18-11-9-12-13(22-7-6-21-12)10-14(11)24-16(18)17-25(19,20)15-4-3-8-23-15/h2-4,8-10H,1,5-7H2/b17-16-.

What are the key properties of (NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide?

(NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide has a molecular weight of 394.50 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (NZ)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide is sourced from PubChem (CID 16938177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).