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24488-95-7 | 3-Isoxazolecarboxamide, N-[1-[4-(aminosulfonyl)phenyl]ethyl]-5-methyl-
CAS No: 24488-95-7 Catalog No: AG002OBI MDL No:
Product Description
Catalog Number:
AG002OBI
Chemical Name:
3-Isoxazolecarboxamide, N-[1-[4-(aminosulfonyl)phenyl]ethyl]-5-methyl-
CAS Number:
24488-95-7
Molecular Formula:
C13H15N3O4S
Molecular Weight:
309.3409
IUPAC Name:
5-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C13H15N3O4S/c1-8-7-12(16-20-8)13(17)15-9(2)10-3-5-11(6-4-10)21(14,18)19/h3-7,9H,1-2H3,(H,15,17)(H2,14,18,19)
InChI Key:
HIPMCUXNGJSHNU-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)S(=O)(=O)N)NC(=O)c1noc(c1)C
EC Number:
246-285-7
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.34g/mol
Monoisotopic Mass:
309.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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