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24924-72-9 | 4-methoxy-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide
CAS No: 24924-72-9 Catalog No: AG00IPBC MDL No:MFCD01213797
Product Description
Catalog Number:
AG00IPBC
Chemical Name:
4-methoxy-N-(4H-1,2,4-triazol-4-yl)benzene-1-sulfonamide
CAS Number:
24924-72-9
Molecular Formula:
C9H10N4O3S
Molecular Weight:
254.2657
MDL Number:
MFCD01213797
IUPAC Name:
4-methoxy-N-(1,2,4-triazol-4-yl)benzenesulfonamide
InChI:
InChI=1S/C9H10N4O3S/c1-16-8-2-4-9(5-3-8)17(14,15)12-13-6-10-11-7-13/h2-7,12H,1H3
InChI Key:
UIECUMJMTJVYMO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)Nn1cnnc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.264g/mol
Monoisotopic Mass:
254.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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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