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13029-72-6 | Glycine, N-[(4-chlorophenyl)sulfonyl]-
CAS No: 13029-72-6 Catalog No: AG000U88 MDL No:MFCD01104937
Product Description
Catalog Number:
AG000U88
Chemical Name:
Glycine, N-[(4-chlorophenyl)sulfonyl]-
CAS Number:
13029-72-6
Molecular Formula:
C8H8ClNO4S
Molecular Weight:
249.6714
MDL Number:
MFCD01104937
IUPAC Name:
2-[(4-chlorophenyl)sulfonylamino]acetic acid
InChI:
InChI=1S/C8H8ClNO4S/c9-6-1-3-7(4-2-6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChI Key:
LOZHABFZMAUWBU-UHFFFAOYSA-N
SMILES:
OC(=O)CNS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.986g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.665g/mol
Monoisotopic Mass:
248.986g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
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 |
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