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53226-43-0 | N-(3-methylbutyl)benzenesulfonamide
CAS No: 53226-43-0 Catalog No: AG019OX2 MDL No:MFCD02008019
Product Description
Catalog Number:
AG019OX2
Chemical Name:
N-(3-methylbutyl)benzenesulfonamide
CAS Number:
53226-43-0
Molecular Formula:
C11H17NO2S
Molecular Weight:
227.3232
MDL Number:
MFCD02008019
IUPAC Name:
N-(3-methylbutyl)benzenesulfonamide
InChI:
InChI=1S/C11H17NO2S/c1-10(2)8-9-12-15(13,14)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChI Key:
MHPUMJGHGCVYGF-UHFFFAOYSA-N
SMILES:
CC(CCNS(=O)(=O)c1ccccc1)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.098g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.322g/mol
Monoisotopic Mass:
227.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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