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6292-58-6 | Benzenesulfonamide, 2,5-dimethyl- (9CI)
CAS No: 6292-58-6 Catalog No: AG00ECLH MDL No:MFCD00086477
Product Description
Catalog Number:
AG00ECLH
Chemical Name:
Benzenesulfonamide, 2,5-dimethyl- (9CI)
CAS Number:
6292-58-6
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD00086477
IUPAC Name:
2,5-dimethylbenzenesulfonamide
InChI:
InChI=1S/C8H11NO2S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChI Key:
STZQAGJQPZCAED-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)S(=O)(=O)N)C
NSC Number:
9910
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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