(2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate

C23H15Cl3N2O4S2 — CID 25039325

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C23H15Cl3N2O4S2/c24-16-7-9-18(25)20(11-16)28-34(30,31)21-10-15(6-8-19(21)26)23(29)32-12-17-13-33-22(27-17)14-4-2-1-3-5-14/h1-11,13,28H,12H2
InChIKeyRYAQASYRQWHOOP-UHFFFAOYSA-N
MW553.88 g/mol
LogP6.93
Rot. Bonds7

About (2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate

(2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate (PubChem CID 25039325) has the molecular formula C23H15Cl3N2O4S2 and a molecular weight of 553.88 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate
PubChem CID25039325
Molecular FormulaC23H15Cl3N2O4S2
Molecular Weight553.88 g/mol
Exact Mass551.95
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C23H15Cl3N2O4S2/c24-16-7-9-18(25)20(11-16)28-34(30,31)21-10-15(6-8-19(21)26)23(29)32-12-17-13-33-22(27-17)14-4-2-1-3-5-14/h1-11,13,28H,12H2
InChIKeyRYAQASYRQWHOOP-UHFFFAOYSA-N
XLogP6.93
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.88
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate
CID 25038213
(2-phenyl-1,3-thiazol-4-yl)methyl 3,4-difluorobenzoate
CID 30305825
(2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate
CID 25048641
[2-(3-chlorophenyl)-2-oxoethyl] 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate
CID 25039534
(2-phenyl-1,3-thiazol-4-yl)methyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoate
CID 25041751
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-chlorobenzoate
CID 7860043
(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(4-methylphenyl)sulfamoyl]benzoate
CID 25039398
[2-(1-adamantylamino)-2-oxoethyl] 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate
CID 25035072
(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
CID 7478095
(2-phenyl-1,3-thiazol-4-yl)methyl 3,6-dichloro-1-benzothiophene-2-carboxylate
CID 2454859
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(trifluoromethyl)benzoate
CID 7860078
(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7416076

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate (CID 25039325) is (2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate is O=C(OCc1csc(-c2ccccc2)n1)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate?
The InChIKey is RYAQASYRQWHOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl3N2O4S2/c24-16-7-9-18(25)20(11-16)28-34(30,31)21-10-15(6-8-19(21)26)23(29)32-12-17-13-33-22(27-17)14-4-2-1-3-5-14/h1-11,13,28H,12H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate?
(2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate has a molecular weight of 553.88 g/mol, XLogP of 6.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 25039325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).