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680618-11-5

680618-11-5 | 2-Ethoxy-5-(piperidine-1-carboxamido)benzene-1-sulfonyl chloride

CAS No: 680618-11-5 Catalog No: AG006G3B MDL No:MFCD03424970

Product Description

Catalog Number:
AG006G3B
Chemical Name:
2-Ethoxy-5-(piperidine-1-carboxamido)benzene-1-sulfonyl chloride
CAS Number:
680618-11-5
Molecular Formula:
C14H19ClN2O4S
Molecular Weight:
346.8297
MDL Number:
MFCD03424970
IUPAC Name:
2-ethoxy-5-(piperidine-1-carbonylamino)benzenesulfonyl chloride
InChI:
InChI=1S/C14H19ClN2O4S/c1-2-21-12-7-6-11(10-13(12)22(15,19)20)16-14(18)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)
InChI Key:
RAWPRYZXTOLPJD-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1S(=O)(=O)Cl)NC(=O)N1CCCCC1

Properties

Complexity:
474  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.075g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
346.826g/mol
Monoisotopic Mass:
346.075g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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