Home Sulfos 2-Chloro-5-(piperidin-1-ylsulfonyl)benzoic acid

2-Chloro-5-(piperidin-1-ylsulfonyl)benzoic acid

CAS No.:
109029-95-0
Catalog Number:
AG0082X0
Molecular Formula:
C12H14ClNO4S
Molecular Weight:
303.7619
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Product Description
Catalog Number:
AG0082X0
Chemical Name:
2-Chloro-5-(piperidin-1-ylsulfonyl)benzoic acid
CAS Number:
109029-95-0
Molecular Formula:
C12H14ClNO4S
Molecular Weight:
303.7619
MDL Number:
MFCD00625735
IUPAC Name:
2-chloro-5-piperidin-1-ylsulfonylbenzoic acid
InChI:
InChI=1S/C12H14ClNO4S/c13-11-5-4-9(8-10(11)12(15)16)19(17,18)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,15,16)
InChI Key:
RYCLZKQOCUAPMF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.033g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
303.757g/mol
Monoisotopic Mass:
303.033g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties