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

C23H16Cl2N2O4S2 — CID 25048641

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C23H16Cl2N2O4S2/c24-16-6-8-17(9-7-16)27-33(29,30)19-10-11-21(25)20(12-19)23(28)31-13-18-14-32-22(26-18)15-4-2-1-3-5-15/h1-12,14,27H,13H2
InChIKeyGFLZEJJIIVUPQR-UHFFFAOYSA-N
MW519.43 g/mol
LogP6.27
Rot. Bonds7

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

(2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate (PubChem CID 25048641) has the molecular formula C23H16Cl2N2O4S2 and a molecular weight of 519.43 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate
PubChem CID25048641
Molecular FormulaC23H16Cl2N2O4S2
Molecular Weight519.43 g/mol
Exact Mass517.99
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C23H16Cl2N2O4S2/c24-16-6-8-17(9-7-16)27-33(29,30)19-10-11-21(25)20(12-19)23(28)31-13-18-14-32-22(26-18)15-4-2-1-3-5-15/h1-12,14,27H,13H2
InChIKeyGFLZEJJIIVUPQR-UHFFFAOYSA-N
XLogP6.27
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.43
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-anilino-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate
CID 25047830
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 25035893
(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(4-methylphenyl)sulfamoyl]benzoate
CID 25039398
(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate
CID 25038213
(2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate
CID 25039325
(2-phenyl-1,3-thiazol-4-yl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512444
(2-phenyl-1,3-thiazol-4-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530468
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7467913
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 31273220
(2-phenyl-1,3-thiazol-4-yl)methyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoate
CID 25041751
(2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
CID 25045576
(2-phenyl-1,3-thiazol-4-yl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 24677878

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate (CID 25048641) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate is O=C(OCc1csc(-c2ccccc2)n1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate?
The InChIKey is GFLZEJJIIVUPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O4S2/c24-16-6-8-17(9-7-16)27-33(29,30)19-10-11-21(25)20(12-19)23(28)31-13-18-14-32-22(26-18)15-4-2-1-3-5-15/h1-12,14,27H,13H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate has a molecular weight of 519.43 g/mol, XLogP of 6.27, 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 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 25048641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).