methyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate

C12H9ClN2O6S — CID 18434589

IUPACmethyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate
SMILESCOC(=O)c1cccc(Cl)c1S(=O)(=O)NC(=O)c1ccno1
InChIInChI=1S/C12H9ClN2O6S/c1-20-12(17)7-3-2-4-8(13)10(7)22(18,19)15-11(16)9-5-6-14-21-9/h2-6H,1H3,(H,15,16)
InChIKeyBRUCKYKFPAFTRH-UHFFFAOYSA-N
MW344.73 g/mol
LogP1.23
Rot. Bonds4

About methyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate

methyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate (PubChem CID 18434589) has the molecular formula C12H9ClN2O6S and a molecular weight of 344.73 g/mol. Its IUPAC name is methyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate
PubChem CID18434589
Molecular FormulaC12H9ClN2O6S
Molecular Weight344.73 g/mol
Exact Mass343.99
IUPAC Namemethyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate
SMILESCOC(=O)c1cccc(Cl)c1S(=O)(=O)NC(=O)c1ccno1
InChIInChI=1S/C12H9ClN2O6S/c1-20-12(17)7-3-2-4-8(13)10(7)22(18,19)15-11(16)9-5-6-14-21-9/h2-6H,1H3,(H,15,16)
InChIKeyBRUCKYKFPAFTRH-UHFFFAOYSA-N
XLogP1.23
TPSA115.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.73
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-chloro-2-[(4-ethyl-5-methyl-1,3-oxazole-2-carbonyl)sulfamoyl]benzoate
CID 18434653
dimethyl 2-(1,2-oxazole-5-carbonylamino)benzene-1,4-dicarboxylate
CID 110693692
N-(4-chloro-2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 8003045
dimethyl 2-tert-butylsulfonylbenzene-1,3-dicarboxylate
CID 15782892
2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydrate
CID 172770358
methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169373285
6-chloro-N-(2,6-dichlorophenyl)sulfonyl-4-methoxypyridine-2-carboxamide
CID 23002405
potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride
CID 173123747
N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide
CID 75477957
N-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 110693653
methyl 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 87026690
N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
CID 84584476

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate?
The IUPAC name of methyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate (CID 18434589) is methyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate.
What is the SMILES notation for methyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate?
The canonical SMILES for methyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate is COC(=O)c1cccc(Cl)c1S(=O)(=O)NC(=O)c1ccno1.
What is the InChIKey of methyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate?
The InChIKey is BRUCKYKFPAFTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O6S/c1-20-12(17)7-3-2-4-8(13)10(7)22(18,19)15-11(16)9-5-6-14-21-9/h2-6H,1H3,(H,15,16).
What are the key properties of methyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate?
methyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate has a molecular weight of 344.73 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2-(1,2-oxazole-5-carbonylsulfamoyl)benzoate is sourced from PubChem (CID 18434589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).