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

C18H15FN2O4S2 — CID 16937953

IUPAC(NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
SMILESC=CCn1/c(=N/S(=O)(=O)c2ccc(F)cc2)sc2cc3c(cc21)OCCO3
InChIInChI=1S/C18H15FN2O4S2/c1-2-7-21-14-10-15-16(25-9-8-24-15)11-17(14)26-18(21)20-27(22,23)13-5-3-12(19)4-6-13/h2-6,10-11H,1,7-9H2/b20-18-
InChIKeyCVMJEXGJLWRUJD-ZZEZOPTASA-N
MW406.46 g/mol
LogP3.09
Rot. Bonds4

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

(NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide (PubChem CID 16937953) has the molecular formula C18H15FN2O4S2 and a molecular weight of 406.46 g/mol. Its IUPAC name is (NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
PubChem CID16937953
Molecular FormulaC18H15FN2O4S2
Molecular Weight406.46 g/mol
Exact Mass406.05
IUPAC Name(NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
SMILESC=CCn1/c(=N/S(=O)(=O)c2ccc(F)cc2)sc2cc3c(cc21)OCCO3
InChIInChI=1S/C18H15FN2O4S2/c1-2-7-21-14-10-15-16(25-9-8-24-15)11-17(14)26-18(21)20-27(22,23)13-5-3-12(19)4-6-13/h2-6,10-11H,1,7-9H2/b20-18-
InChIKeyCVMJEXGJLWRUJD-ZZEZOPTASA-N
XLogP3.09
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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
5-chloro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892634
methyl 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-3-yl]acetate
CID 16937951
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849398
(NZ)-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937492
N-(3-prop-2-ynyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 40849444
1-(4-methylphenyl)sulfonyl-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)piperidine-3-carboxamide
CID 16863320
(NZ)-N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937547
4-(benzenesulfonyl)-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)butanamide
CID 25407015
(NE)-N-(4-chloro-5-formyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 44791596
4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 40849614
(NZ)-4-chloro-N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937745

Frequently Asked Questions

What is the IUPAC name of (NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide (CID 16937953) is (NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide is C=CCn1/c(=N/S(=O)(=O)c2ccc(F)cc2)sc2cc3c(cc21)OCCO3.
What is the InChIKey of (NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide?
The InChIKey is CVMJEXGJLWRUJD-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H15FN2O4S2/c1-2-7-21-14-10-15-16(25-9-8-24-15)11-17(14)26-18(21)20-27(22,23)13-5-3-12(19)4-6-13/h2-6,10-11H,1,7-9H2/b20-18-.
What are the key properties of (NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide?
(NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide has a molecular weight of 406.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 16937953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).