2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide

C17H14Cl2N4O4S2 — CID 55979286

IUPAC2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCS(=O)(=O)Nc1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C17H14Cl2N4O4S2/c1-29(25,26)23-17-22-21-16(28-17)20-15(24)12-4-2-3-5-14(12)27-9-10-6-7-11(18)8-13(10)19/h2-8H,9H2,1H3,(H,22,23)(H,20,21,24)
InChIKeyQNGVUMFRVKNQBJ-UHFFFAOYSA-N
MW473.36 g/mol
LogP4.05
Rot. Bonds7

About 2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide

2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 55979286) has the molecular formula C17H14Cl2N4O4S2 and a molecular weight of 473.36 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID55979286
Molecular FormulaC17H14Cl2N4O4S2
Molecular Weight473.36 g/mol
Exact Mass471.98
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCS(=O)(=O)Nc1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C17H14Cl2N4O4S2/c1-29(25,26)23-17-22-21-16(28-17)20-15(24)12-4-2-3-5-14(12)27-9-10-6-7-11(18)8-13(10)19/h2-8H,9H2,1H3,(H,22,23)(H,20,21,24)
InChIKeyQNGVUMFRVKNQBJ-UHFFFAOYSA-N
XLogP4.05
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide with MolForge

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Related Compounds

2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 167980519
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2461029
5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 87008668
2-[(2,4-dichlorophenyl)methoxy]-N-(4-sulfamoylphenyl)benzamide
CID 2123312
2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 47738998
N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 1078967
2-[(2,4-dichlorophenyl)methoxy]-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 124669662
2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide
CID 78795831
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
CID 55979400
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 2421234
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3891053
2-[(4-chlorophenyl)methoxy]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2120385

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide (CID 55979286) is 2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide is CS(=O)(=O)Nc1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is QNGVUMFRVKNQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O4S2/c1-29(25,26)23-17-22-21-16(28-17)20-15(24)12-4-2-3-5-14(12)27-9-10-6-7-11(18)8-13(10)19/h2-8H,9H2,1H3,(H,22,23)(H,20,21,24).
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide?
2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 473.36 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 55979286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).