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Home Sulfos 4-Piperidinecarboxylic acid, 1-(2-naphthalenylsulfonyl)-

4-Piperidinecarboxylic acid, 1-(2-naphthalenylsulfonyl)-

CAS No.:
147959-02-2
Catalog Number:
AG00HXLJ
Molecular Formula:
C16H17NO4S
Molecular Weight:
319.3755
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Product Description
Catalog Number:
AG00HXLJ
Chemical Name:
4-Piperidinecarboxylic acid, 1-(2-naphthalenylsulfonyl)-
CAS Number:
147959-02-2
Molecular Formula:
C16H17NO4S
Molecular Weight:
319.3755
MDL Number:
MFCD16618491
IUPAC Name:
1-naphthalen-2-ylsulfonylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C16H17NO4S/c18-16(19)13-7-9-17(10-8-13)22(20,21)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13H,7-10H2,(H,18,19)
InChI Key:
MDJITYWHEVEXJY-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
505  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.088g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
319.375g/mol
Monoisotopic Mass:
319.088g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties