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21357-99-3 | Benzenesulfonamide,N-(3-methyl-1H-1,2,4-triazol-5-yl)-
CAS No: 21357-99-3 Catalog No: AG007QRQ MDL No:
Product Description
Catalog Number:
AG007QRQ
Chemical Name:
Benzenesulfonamide,N-(3-methyl-1H-1,2,4-triazol-5-yl)-
CAS Number:
21357-99-3
Molecular Formula:
C9H10N4O2S
Molecular Weight:
238.2663
IUPAC Name:
N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
InChI:
InChI=1S/C9H10N4O2S/c1-7-10-9(12-11-7)13-16(14,15)8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13)
InChI Key:
SDLZOIALAMGPKA-UHFFFAOYSA-N
SMILES:
Cc1[nH]nc(n1)NS(=O)(=O)c1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.265g/mol
Monoisotopic Mass:
238.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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