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Home > Sulfanilamide > 863417-53-2
863417-53-2 | N-{4-methoxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl}propane-1-sulfonamide
CAS No: 863417-53-2 Catalog No: AG00IP8F MDL No:MFCD06496170
Product Description
Catalog Number:
AG00IP8F
Chemical Name:
N-{4-methoxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl}propane-1-sulfonamide
CAS Number:
863417-53-2
Molecular Formula:
C16H17NO4S
Molecular Weight:
319.3755
MDL Number:
MFCD06496170
IUPAC Name:
N-(2-methoxydibenzofuran-3-yl)propane-1-sulfonamide
InChI:
InChI=1S/C16H17NO4S/c1-3-8-22(18,19)17-13-10-15-12(9-16(13)20-2)11-6-4-5-7-14(11)21-15/h4-7,9-10,17H,3,8H2,1-2H3
InChI Key:
HSLCQZURTRLUFY-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)Nc1cc2oc3c(c2cc1OC)cccc3
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.375g/mol
Monoisotopic Mass:
319.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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