4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide

C18H15FN2O2S2 — CID 3258814

IUPAC4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide
SMILESC=CCn1c(-c2ccccc2)csc1=NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2S2/c1-2-12-21-17(14-6-4-3-5-7-14)13-24-18(21)20-25(22,23)16-10-8-15(19)9-11-16/h2-11,13H,1,12H2
InChIKeyLWLOVVTWGYOFAW-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.83
Rot. Bonds5

About 4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide

4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide (PubChem CID 3258814) has the molecular formula C18H15FN2O2S2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide
PubChem CID3258814
Molecular FormulaC18H15FN2O2S2
Molecular Weight374.46 g/mol
Exact Mass374.06
IUPAC Name4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide
SMILESC=CCn1c(-c2ccccc2)csc1=NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O2S2/c1-2-12-21-17(14-6-4-3-5-7-14)13-24-18(21)20-25(22,23)16-10-8-15(19)9-11-16/h2-11,13H,1,12H2
InChIKeyLWLOVVTWGYOFAW-UHFFFAOYSA-N
XLogP3.83
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-bromophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-fluorobenzenesulfonamide
CID 3629431
(NE)-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
CID 6041804
(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazine;hydrochloride
CID 69206071
4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 9498727
N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 72581892
4-phenyl-N-(4-phenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 45125396
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849398
(NE)-N-(4-chloro-5-formyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 44791596
N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide
CID 72581893
(NE)-4-bromo-N-[4-(2-methyl-1-benzofuran-3-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 6151998
4-[[4-(4-fluorophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23734181
4-phenyl-3-prop-2-enyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine
CID 5167345

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide (CID 3258814) is 4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide is C=CCn1c(-c2ccccc2)csc1=NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide?
The InChIKey is LWLOVVTWGYOFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S2/c1-2-12-21-17(14-6-4-3-5-7-14)13-24-18(21)20-25(22,23)16-10-8-15(19)9-11-16/h2-11,13H,1,12H2.
What are the key properties of 4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide?
4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 3258814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).