Home Sulfos 3-[(cyclohexanesulfonyl)methyl]aniline

3-[(cyclohexanesulfonyl)methyl]aniline

CAS No.:
1184212-16-5
Catalog Number:
AG01AHMN
Molecular Formula:
C13H19NO2S
Molecular Weight:
253.3605
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Product Description
Catalog Number:
AG01AHMN
Chemical Name:
3-[(cyclohexanesulfonyl)methyl]aniline
CAS Number:
1184212-16-5
Molecular Formula:
C13H19NO2S
Molecular Weight:
253.3605
MDL Number:
MFCD13161248
IUPAC Name:
3-(cyclohexylsulfonylmethyl)aniline
InChI:
InChI=1S/C13H19NO2S/c14-12-6-4-5-11(9-12)10-17(15,16)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10,14H2
InChI Key:
DXBBPCZTCWVWCB-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)CS(=O)(=O)C1CCCCC1
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.114g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.36g/mol
Monoisotopic Mass:
253.114g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties