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116-45-0 | Benzenesulfonamide, 4-amino-N-(5-bromo-4,6-dimethyl-2-pyrimidinyl)-
CAS No: 116-45-0 Catalog No: AG000BCO MDL No:
Product Description
Catalog Number:
AG000BCO
Chemical Name:
Benzenesulfonamide, 4-amino-N-(5-bromo-4,6-dimethyl-2-pyrimidinyl)-
CAS Number:
116-45-0
Molecular Formula:
C12H13BrN4O2S
Molecular Weight:
357.2262
IUPAC Name:
4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
InChI:
InChI=1S/C12H13BrN4O2S/c1-7-11(13)8(2)16-12(15-7)17-20(18,19)10-5-3-9(14)4-6-10/h3-6H,14H2,1-2H3,(H,15,16,17)
InChI Key:
KWXCNODTHBHSIQ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)c(c(n1)C)Br
EC Number:
204-142-6
UNII:
PQK2N461KJ
NSC Number:
5874
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.994g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.226g/mol
Monoisotopic Mass:
355.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Identification of a class of sulfonamides highly active against dihydropteroate synthase form Toxoplasma gondii, Pneumocystis carinii, and Mycobacterium avium. | Antimicrobial agents and chemotherapy 19960301 |
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