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128569-20-0 | Benzoic acid, 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, methyl ester
CAS No: 128569-20-0 Catalog No: AG000Y7T MDL No:
Product Description
Catalog Number:
AG000Y7T
Chemical Name:
Benzoic acid, 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, methyl ester
CAS Number:
128569-20-0
Molecular Formula:
C14H13ClN4O6S
Molecular Weight:
400.7942
IUPAC Name:
methyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
InChI:
InChI=1S/C14H13ClN4O6S/c1-24-11-7-10(15)16-13(17-11)18-14(21)19-26(22,23)9-6-4-3-5-8(9)12(20)25-2/h3-7H,1-2H3,(H2,16,17,18,19,21)
InChI Key:
HXGQOVZYUUYUHA-UHFFFAOYSA-N
SMILES:
COc1nc(nc(c1)Cl)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.024g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.79g/mol
Monoisotopic Mass:
400.024g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Sulfonylureas have antifungal activity and are potent inhibitors of Candida albicans acetohydroxyacid synthase. | Journal of medicinal chemistry 20130110 |
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