Home Sulfos 2-Chloro-4-[(3-methyl-piperidine-1-carbonyl)-amino]-benzenesulfonyl chloride

2-Chloro-4-[(3-methyl-piperidine-1-carbonyl)-amino]-benzenesulfonyl chloride

CAS No.:
728864-75-3
Catalog Number:
AG01EX6X
Molecular Formula:
C13H16Cl2N2O3S
Molecular Weight:
351.2487
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Product Description
Catalog Number:
AG01EX6X
Chemical Name:
2-Chloro-4-[(3-methyl-piperidine-1-carbonyl)-amino]-benzenesulfonyl chloride
CAS Number:
728864-75-3
Molecular Formula:
C13H16Cl2N2O3S
Molecular Weight:
351.2487
MDL Number:
MFCD04117297
IUPAC Name:
2-chloro-4-[(3-methylpiperidine-1-carbonyl)amino]benzenesulfonyl chloride
InChI:
InChI=1S/C13H16Cl2N2O3S/c1-9-3-2-6-17(8-9)13(18)16-10-4-5-12(11(14)7-10)21(15,19)20/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)
InChI Key:
ZDBFXTIRDMNUTC-UHFFFAOYSA-N
SMILES:
CC1CCCN(C1)C(=O)Nc1ccc(c(c1)Cl)S(=O)(=O)Cl
Properties
Complexity:
480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.026g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
351.242g/mol
Monoisotopic Mass:
350.026g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties