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7146-67-0 | N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CAS No: 7146-67-0 Catalog No: AG003SHU MDL No:MFCD00020582
Product Description
Catalog Number:
AG003SHU
Chemical Name:
N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CAS Number:
7146-67-0
Molecular Formula:
C11H17NO4S
Molecular Weight:
259.3220
MDL Number:
MFCD00020582
IUPAC Name:
N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C11H17NO4S/c1-10-2-4-11(5-3-10)17(15,16)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3
InChI Key:
NHFJDXPINIIUQG-UHFFFAOYSA-N
SMILES:
OCCN(S(=O)(=O)c1ccc(cc1)C)CCO
EC Number:
230-455-2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.32g/mol
Monoisotopic Mass:
259.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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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