Home Sulfos 3-Chloro-4-[(piperidine-1-carbonyl)-amino]-benzene sulfonyl chloride

3-Chloro-4-[(piperidine-1-carbonyl)-amino]-benzene sulfonyl chloride

CAS No.:
678185-85-8
Catalog Number:
AG01EWW8
Molecular Formula:
C12H14Cl2N2O3S
Molecular Weight:
337.2222
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Product Description
Catalog Number:
AG01EWW8
Chemical Name:
3-Chloro-4-[(piperidine-1-carbonyl)-amino]-benzene sulfonyl chloride
CAS Number:
678185-85-8
Molecular Formula:
C12H14Cl2N2O3S
Molecular Weight:
337.2222
MDL Number:
MFCD03424901
IUPAC Name:
3-chloro-4-(piperidine-1-carbonylamino)benzenesulfonyl chloride
InChI:
InChI=1S/C12H14Cl2N2O3S/c13-10-8-9(20(14,18)19)4-5-11(10)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17)
InChI Key:
KEFCOIPQTSBJBD-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)Nc1ccc(cc1Cl)S(=O)(=O)Cl
Properties
Complexity:
446  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.01g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
337.215g/mol
Monoisotopic Mass:
336.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties