Home Sulfos 2-Ethoxy-5-((4-ethylpiperazin-1-yl)sulfonyl)benzoic acid hydrochloride

2-Ethoxy-5-((4-ethylpiperazin-1-yl)sulfonyl)benzoic acid hydrochloride

CAS No.:
1998216-49-1
Catalog Number:
AG01EN3C
Molecular Formula:
C15H23ClN2O5S
Molecular Weight:
378.8715
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Product Description
Catalog Number:
AG01EN3C
Chemical Name:
2-Ethoxy-5-((4-ethylpiperazin-1-yl)sulfonyl)benzoic acid hydrochloride
CAS Number:
1998216-49-1
Molecular Formula:
C15H23ClN2O5S
Molecular Weight:
378.8715
MDL Number:
MFCD30475786
IUPAC Name:
2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzoic acid;hydrochloride
InChI:
InChI=1S/C15H22N2O5S.ClH/c1-3-16-7-9-17(10-8-16)23(20,21)12-5-6-14(22-4-2)13(11-12)15(18)19;/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19);1H
InChI Key:
LNZZWMWDXFIRDL-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C(=O)O)S(=O)(=O)N1CCN(CC1)CC.Cl
Properties
Complexity:
497  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.102g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
378.868g/mol
Monoisotopic Mass:
378.102g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties