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Home Sulfos 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid

5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid

CAS No.:
793727-47-6
Catalog Number:
AG00G8KX
Molecular Formula:
C16H22N2O4S
Molecular Weight:
338.4219
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Product Description
Catalog Number:
AG00G8KX
Chemical Name:
5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid
CAS Number:
793727-47-6
Molecular Formula:
C16H22N2O4S
Molecular Weight:
338.4219
MDL Number:
MFCD06364943
IUPAC Name:
5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C16H22N2O4S/c19-16(20)14-12-13(6-7-15(14)17-8-4-5-9-17)23(21,22)18-10-2-1-3-11-18/h6-7,12H,1-5,8-11H2,(H,19,20)
InChI Key:
CVQIKJWNPWDPEZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCCCC1
Properties
Complexity:
519  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.13g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
338.422g/mol
Monoisotopic Mass:
338.13g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
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