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87905-16-6 | Benzenesulfonamide, 4-methyl-N-(2-pyridinylthio)-
CAS No: 87905-16-6 Catalog No: AG004HS7 MDL No:
Product Description
Catalog Number:
AG004HS7
Chemical Name:
Benzenesulfonamide, 4-methyl-N-(2-pyridinylthio)-
CAS Number:
87905-16-6
Molecular Formula:
C12H12N2O2S2
Molecular Weight:
280.3659
IUPAC Name:
4-methyl-N-pyridin-2-ylsulfanylbenzenesulfonamide
InChI:
InChI=1S/C12H12N2O2S2/c1-10-5-7-11(8-6-10)18(15,16)14-17-12-4-2-3-9-13-12/h2-9,14H,1H3
InChI Key:
QSLCIZCFNXLFGK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NSc1ccccn1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.034g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.36g/mol
Monoisotopic Mass:
280.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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