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7311-93-5 | 3-(Piperidin-1-ylsulfonyl)benzoic acid
CAS No: 7311-93-5 Catalog No: AG005FXF MDL No:MFCD00760901
Product Description
Catalog Number:
AG005FXF
Chemical Name:
3-(Piperidin-1-ylsulfonyl)benzoic acid
CAS Number:
7311-93-5
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
MDL Number:
MFCD00760901
IUPAC Name:
3-piperidin-1-ylsulfonylbenzoic acid
InChI:
InChI=1S/C12H15NO4S/c14-12(15)10-5-4-6-11(9-10)18(16,17)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2,(H,14,15)
InChI Key:
QRFCJPBEPZZXEE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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