4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide

C18H15Cl2N3O5S2 — CID 27257291

IUPAC4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3nccs3)ccc2Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3O5S2/c1-27-14-9-15(28-2)13(8-12(14)20)23-30(25,26)16-7-10(3-4-11(16)19)17(24)22-18-21-5-6-29-18/h3-9,23H,1-2H3,(H,21,22,24)
InChIKeyOYALCZKKJLQPLI-UHFFFAOYSA-N
MW488.37 g/mol
LogP4.52
Rot. Bonds7

About 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide

4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 27257291) has the molecular formula C18H15Cl2N3O5S2 and a molecular weight of 488.37 g/mol. Its IUPAC name is 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID27257291
Molecular FormulaC18H15Cl2N3O5S2
Molecular Weight488.37 g/mol
Exact Mass486.98
IUPAC Name4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3nccs3)ccc2Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3O5S2/c1-27-14-9-15(28-2)13(8-12(14)20)23-30(25,26)16-7-10(3-4-11(16)19)17(24)22-18-21-5-6-29-18/h3-9,23H,1-2H3,(H,21,22,24)
InChIKeyOYALCZKKJLQPLI-UHFFFAOYSA-N
XLogP4.52
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.37
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55867170
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CID 17477065
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide
CID 2085572
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 126416977
4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 1107091
N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 35993548
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 18291900
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 55948650
3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 102694633
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559
2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide (CID 27257291) is 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide is COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3nccs3)ccc2Cl)cc1Cl.
What is the InChIKey of 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is OYALCZKKJLQPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O5S2/c1-27-14-9-15(28-2)13(8-12(14)20)23-30(25,26)16-7-10(3-4-11(16)19)17(24)22-18-21-5-6-29-18/h3-9,23H,1-2H3,(H,21,22,24).
What are the key properties of 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 488.37 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 27257291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).