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

C23H17ClN2O4S2 — CID 25038213

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C23H17ClN2O4S2/c24-20-11-4-5-12-21(20)26-32(28,29)19-10-6-9-17(13-19)23(27)30-14-18-15-31-22(25-18)16-7-2-1-3-8-16/h1-13,15,26H,14H2
InChIKeyZATOTKOGSAPATQ-UHFFFAOYSA-N
MW484.99 g/mol
LogP5.62
Rot. Bonds7

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

(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate (PubChem CID 25038213) has the molecular formula C23H17ClN2O4S2 and a molecular weight of 484.99 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate
PubChem CID25038213
Molecular FormulaC23H17ClN2O4S2
Molecular Weight484.99 g/mol
Exact Mass484.03
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C23H17ClN2O4S2/c24-20-11-4-5-12-21(20)26-32(28,29)19-10-6-9-17(13-19)23(27)30-14-18-15-31-22(25-18)16-7-2-1-3-8-16/h1-13,15,26H,14H2
InChIKeyZATOTKOGSAPATQ-UHFFFAOYSA-N
XLogP5.62
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.99
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(4-methylphenyl)sulfamoyl]benzoate
CID 25039398
(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 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate
CID 25048641
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(trifluoromethyl)benzoate
CID 7860078
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-methylsulfonylbenzoate
CID 18203452
(2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
CID 25045576
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-chlorobenzoate
CID 7860043
(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-difluorobenzoate
CID 30305825
(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
CID 7478095
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate
CID 4797377
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-morpholin-4-ylsulfonylbenzoate
CID 16521683

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate (CID 25038213) is (2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate is O=C(OCc1csc(-c2ccccc2)n1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate?
The InChIKey is ZATOTKOGSAPATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O4S2/c24-20-11-4-5-12-21(20)26-32(28,29)19-10-6-9-17(13-19)23(27)30-14-18-15-31-22(25-18)16-7-2-1-3-8-16/h1-13,15,26H,14H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate?
(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate has a molecular weight of 484.99 g/mol, XLogP of 5.62, 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 3-[(2-chlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 25038213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).