N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide

C19H17FN2O2S2 — CID 72581892

IUPACN-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide
SMILESC=CCn1c(C)c(-c2ccc(F)cc2)sc1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17FN2O2S2/c1-3-13-22-14(2)18(15-9-11-16(20)12-10-15)25-19(22)21-26(23,24)17-7-5-4-6-8-17/h3-12H,1,13H2,2H3
InChIKeyZRYIPFYLJMIPTR-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.14
Rot. Bonds5

About N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide

N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide (PubChem CID 72581892) has the molecular formula C19H17FN2O2S2 and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide
PubChem CID72581892
Molecular FormulaC19H17FN2O2S2
Molecular Weight388.49 g/mol
Exact Mass388.07
IUPAC NameN-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide
SMILESC=CCn1c(C)c(-c2ccc(F)cc2)sc1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17FN2O2S2/c1-3-13-22-14(2)18(15-9-11-16(20)12-10-15)25-19(22)21-26(23,24)17-7-5-4-6-8-17/h3-12H,1,13H2,2H3
InChIKeyZRYIPFYLJMIPTR-UHFFFAOYSA-N
XLogP4.14
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The IUPAC name of N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide (CID 72581892) is N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide is C=CCn1c(C)c(-c2ccc(F)cc2)sc1=NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
The InChIKey is ZRYIPFYLJMIPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S2/c1-3-13-22-14(2)18(15-9-11-16(20)12-10-15)25-19(22)21-26(23,24)17-7-5-4-6-8-17/h3-12H,1,13H2,2H3.
What are the key properties of N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide?
N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 72581892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).