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824403-07-8 | Benzenesulfonamide, N-(2-butyl-1-methyl-2-cyclohexen-1-yl)-4-methyl-
CAS No: 824403-07-8 Catalog No: AG0051HT MDL No:
Product Description
Catalog Number:
AG0051HT
Chemical Name:
Benzenesulfonamide, N-(2-butyl-1-methyl-2-cyclohexen-1-yl)-4-methyl-
CAS Number:
824403-07-8
Molecular Formula:
C18H27NO2S
Molecular Weight:
321.4775
IUPAC Name:
N-(2-butyl-1-methylcyclohex-2-en-1-yl)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C18H27NO2S/c1-4-5-8-16-9-6-7-14-18(16,3)19-22(20,21)17-12-10-15(2)11-13-17/h9-13,19H,4-8,14H2,1-3H3
InChI Key:
BCYIUFVTVNZACV-UHFFFAOYSA-N
SMILES:
CCCCC1=CCCCC1(C)NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.176g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.479g/mol
Monoisotopic Mass:
321.176g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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