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89113-20-2

89113-20-2 | 4-ACETAMIDO-N-(4-(ETHOXYCARBONYL)PHENYL)BENZENESULFONAMIDE

CAS No: 89113-20-2 Catalog No: AG0086U1 MDL No:

Product Description

Catalog Number:
AG0086U1
Chemical Name:
4-ACETAMIDO-N-(4-(ETHOXYCARBONYL)PHENYL)BENZENESULFONAMIDE
CAS Number:
89113-20-2
Molecular Formula:
C17H18N2O5S
Molecular Weight:
362.4002
IUPAC Name:
ethyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
InChI:
InChI=1S/C17H18N2O5S/c1-3-24-17(21)13-4-6-15(7-5-13)19-25(22,23)16-10-8-14(9-11-16)18-12(2)20/h4-11,19H,3H2,1-2H3,(H,18,20)
InChI Key:
IIBCOYGTPYCACM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)NC(=O)C
NSC Number:
205491

Properties

Complexity:
556  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.094g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
362.4g/mol
Monoisotopic Mass:
362.094g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Literature

Title Journal
Quantitative structure-activity relationship studies of a series of sulfa drugs as inhibitors of Pneumocystis carinii dihydropteroate synthetase. Antimicrobial agents and chemotherapy 19980601
Inhibition of recombinant Pneumocystis carinii dihydropteroate synthetase by sulfa drugs. Antimicrobial agents and chemotherapy 19950801

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