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Home Sulfos 3-[(2,6-Dimethylmorpholino)sulfonyl]benzoic acid

3-[(2,6-Dimethylmorpholino)sulfonyl]benzoic acid

CAS No.:
312532-21-1
Catalog Number:
AG00I5VE
Molecular Formula:
C13H17NO5S
Molecular Weight:
299.3428
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Product Description
Catalog Number:
AG00I5VE
Chemical Name:
3-[(2,6-Dimethylmorpholino)sulfonyl]benzoic acid
CAS Number:
312532-21-1
Molecular Formula:
C13H17NO5S
Molecular Weight:
299.3428
MDL Number:
MFCD01197460
IUPAC Name:
3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid
InChI:
InChI=1S/C13H17NO5S/c1-9-7-14(8-10(2)19-9)20(17,18)12-5-3-4-11(6-12)13(15)16/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)
InChI Key:
SHIDBEVAWHWDFA-UHFFFAOYSA-N
SMILES:
CC1OC(C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)O
Properties
Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.083g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
299.341g/mol
Monoisotopic Mass:
299.083g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties