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126826-57-1 | Benzenesulfonamide, N-(1-butyl-2-pyrrolidinylidene)-4-methyl-
CAS No: 126826-57-1 Catalog No: AG000TAL MDL No:
Product Description
Catalog Number:
AG000TAL
Chemical Name:
Benzenesulfonamide, N-(1-butyl-2-pyrrolidinylidene)-4-methyl-
CAS Number:
126826-57-1
Molecular Formula:
C15H22N2O2S
Molecular Weight:
294.4124
IUPAC Name:
N-(1-butylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide
InChI:
InChI=1S/C15H22N2O2S/c1-3-4-11-17-12-5-6-15(17)16-20(18,19)14-9-7-13(2)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChI Key:
CSMSPNKITJXZAK-UHFFFAOYSA-N
SMILES:
CCCCN1CCCC1=NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.14g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.413g/mol
Monoisotopic Mass:
294.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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