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10252-81-0 | Benzoic acid, 4-[[bis(2-methylpropyl)amino]sulfonyl]-
CAS No: 10252-81-0 Catalog No: AG0007NL MDL No:MFCD01626496
Product Description
Catalog Number:
AG0007NL
Chemical Name:
Benzoic acid, 4-[[bis(2-methylpropyl)amino]sulfonyl]-
CAS Number:
10252-81-0
Molecular Formula:
C15H23NO4S
Molecular Weight:
313.4124
MDL Number:
MFCD01626496
IUPAC Name:
4-[bis(2-methylpropyl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C15H23NO4S/c1-11(2)9-16(10-12(3)4)21(19,20)14-7-5-13(6-8-14)15(17)18/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChI Key:
SBMWIDCANKNKIX-UHFFFAOYSA-N
SMILES:
CC(CN(S(=O)(=O)c1ccc(cc1)C(=O)O)CC(C)C)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.135g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.412g/mol
Monoisotopic Mass:
313.135g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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