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850429-69-5 | N-Cyclohexyl 3-bromo-4-methylbenzenesulfonamide
CAS No: 850429-69-5 Catalog No: AG003SWP MDL No:MFCD07363834
Product Description
Catalog Number:
AG003SWP
Chemical Name:
N-Cyclohexyl 3-bromo-4-methylbenzenesulfonamide
CAS Number:
850429-69-5
Molecular Formula:
C13H18BrNO2S
Molecular Weight:
332.2565
MDL Number:
MFCD07363834
IUPAC Name:
3-bromo-N-cyclohexyl-4-methylbenzenesulfonamide
InChI:
InChI=1S/C13H18BrNO2S/c1-10-7-8-12(9-13(10)14)18(16,17)15-11-5-3-2-4-6-11/h7-9,11,15H,2-6H2,1H3
InChI Key:
CNTDHRBLONXWGE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1Br)S(=O)(=O)NC1CCCCC1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.256g/mol
Monoisotopic Mass:
331.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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