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18981-89-0 | Benzenesulfonamide, 4-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]-
CAS No: 18981-89-0 Catalog No: AG002E02 MDL No:
Product Description
Catalog Number:
AG002E02
Chemical Name:
Benzenesulfonamide, 4-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]-
CAS Number:
18981-89-0
Molecular Formula:
C13H11Cl2N3O3S
Molecular Weight:
360.2157
IUPAC Name:
1-(3,4-dichlorophenyl)-3-(4-sulfamoylphenyl)urea
InChI:
InChI=1S/C13H11Cl2N3O3S/c14-11-6-3-9(7-12(11)15)18-13(19)17-8-1-4-10(5-2-8)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChI Key:
TYARBSJEHPSWTM-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.99g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
360.209g/mol
Monoisotopic Mass:
358.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Carbonic anhydrase inhibitors: inhibition of Plasmodium falciparum carbonic anhydrase with aromatic/heterocyclic sulfonamides-in vitro and in vivo studies. | Bioorganic & medicinal chemistry letters 20081015 |
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