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100317-20-2 | Benzenamine, 2-methyl-5-(1-piperidinylsulfonyl)-
CAS No: 100317-20-2 Catalog No: AG0001LI MDL No:MFCD02706759
Product Description
Catalog Number:
AG0001LI
Chemical Name:
Benzenamine, 2-methyl-5-(1-piperidinylsulfonyl)-
CAS Number:
100317-20-2
Molecular Formula:
C12H18N2O2S
Molecular Weight:
254.3485
MDL Number:
MFCD02706759
IUPAC Name:
2-methyl-5-piperidin-1-ylsulfonylaniline
InChI:
InChI=1S/C12H18N2O2S/c1-10-5-6-11(9-12(10)13)17(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3
InChI Key:
FIOVLCJDLOLZFG-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1N)S(=O)(=O)N1CCCCC1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.109g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.348g/mol
Monoisotopic Mass:
254.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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