[4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate

C24H19FN2O4S2 — CID 16557201

IUPAC[4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCN(c1ccc(OC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H19FN2O4S2/c1-27(33(29,30)22-5-3-2-4-6-22)20-11-13-21(14-12-20)31-23(28)15-19-16-32-24(26-19)17-7-9-18(25)10-8-17/h2-14,16H,15H2,1H3
InChIKeyHPQNUIWMLATOQE-UHFFFAOYSA-N
MW482.56 g/mol
LogP4.92
Rot. Bonds7

About [4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate

[4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 16557201) has the molecular formula C24H19FN2O4S2 and a molecular weight of 482.56 g/mol. Its IUPAC name is [4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
PubChem CID16557201
Molecular FormulaC24H19FN2O4S2
Molecular Weight482.56 g/mol
Exact Mass482.08
IUPAC Name[4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCN(c1ccc(OC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H19FN2O4S2/c1-27(33(29,30)22-5-3-2-4-6-22)20-11-13-21(14-12-20)31-23(28)15-19-16-32-24(26-19)17-7-9-18(25)10-8-17/h2-14,16H,15H2,1H3
InChIKeyHPQNUIWMLATOQE-UHFFFAOYSA-N
XLogP4.92
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 8764496
methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate
CID 7956863
(4-cyanophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 8765857
[4-(4-fluorobenzoyl)phenyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 46611736
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 35545507
[4-[benzenesulfonyl(methyl)amino]phenyl] 3-(4-methoxyphenyl)propanoate
CID 4815823
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 25436690
methyl 2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]acetate
CID 78913070
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-thiophen-2-ylacetate
CID 7921898
[4-[benzenesulfonyl(methyl)amino]phenyl] 2-(2-ethoxyphenoxy)acetate
CID 4812581
2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20992073

Frequently Asked Questions

What is the IUPAC name of [4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate (CID 16557201) is [4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate is CN(c1ccc(OC(=O)Cc2csc(-c3ccc(F)cc3)n2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is HPQNUIWMLATOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4S2/c1-27(33(29,30)22-5-3-2-4-6-22)20-11-13-21(14-12-20)31-23(28)15-19-16-32-24(26-19)17-7-9-18(25)10-8-17/h2-14,16H,15H2,1H3.
What are the key properties of [4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate?
[4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 482.56 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[benzenesulfonyl(methyl)amino]phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 16557201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).