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52960-57-3 | 2-Methoxybenzenesulfonamide
CAS No: 52960-57-3 Catalog No: AG0039SK MDL No:MFCD06496492
Product Description
Catalog Number:
AG0039SK
Chemical Name:
2-Methoxybenzenesulfonamide
CAS Number:
52960-57-3
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
MDL Number:
MFCD06496492
IUPAC Name:
2-methoxybenzenesulfonamide
InChI:
InChI=1S/C7H9NO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChI Key:
MKQNYQGIPARLKO-UHFFFAOYSA-N
SMILES:
COc1ccccc1S(=O)(=O)N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Computational study of the interactions between guanine derivatives and cyclin-dependent kinase 2 (CDK2) by CoMFA and QM/MM. | Journal of chemical information and modeling 20100101 |
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