Home Sulfos 4-[(4-Methyl-piperidine-1-carbonyl)-amino]-benzenesulfonyl chloride

4-[(4-Methyl-piperidine-1-carbonyl)-amino]-benzenesulfonyl chloride

CAS No.:
728864-67-3
Catalog Number:
AG01EX6S
Molecular Formula:
C13H17ClN2O3S
Molecular Weight:
316.8037
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Product Description
Catalog Number:
AG01EX6S
Chemical Name:
4-[(4-Methyl-piperidine-1-carbonyl)-amino]-benzenesulfonyl chloride
CAS Number:
728864-67-3
Molecular Formula:
C13H17ClN2O3S
Molecular Weight:
316.8037
MDL Number:
MFCD03424986
IUPAC Name:
4-[(4-methylpiperidine-1-carbonyl)amino]benzenesulfonyl chloride
InChI:
InChI=1S/C13H17ClN2O3S/c1-10-6-8-16(9-7-10)13(17)15-11-2-4-12(5-3-11)20(14,18)19/h2-5,10H,6-9H2,1H3,(H,15,17)
InChI Key:
OIQIVUDKQIKHJR-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
433  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.065g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
316.8g/mol
Monoisotopic Mass:
316.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties