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65934-42-1 | Benzenesulfonamide, 4-methyl-N-phenyl-N-1,2,3,4-thiatriazol-5-yl-
CAS No: 65934-42-1 Catalog No: AG006MG2 MDL No:
Product Description
Catalog Number:
AG006MG2
Chemical Name:
Benzenesulfonamide, 4-methyl-N-phenyl-N-1,2,3,4-thiatriazol-5-yl-
CAS Number:
65934-42-1
Molecular Formula:
C14H12N4O2S2
Molecular Weight:
332.4007
IUPAC Name:
4-methyl-N-phenyl-N-(thiatriazol-5-yl)benzenesulfonamide
InChI:
InChI=1S/C14H12N4O2S2/c1-11-7-9-13(10-8-11)22(19,20)18(14-15-16-17-21-14)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
PURYSOSTVYSRRQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N(c1nnns1)c1ccccc1
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.04g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.396g/mol
Monoisotopic Mass:
332.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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