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1016790-21-8 | 4-cyano-N-(oxolan-2-ylmethyl)benzene-1-sulfonamide
CAS No: 1016790-21-8 Catalog No: AG019UGS MDL No:MFCD09942846
Product Description
Catalog Number:
AG019UGS
Chemical Name:
4-cyano-N-(oxolan-2-ylmethyl)benzene-1-sulfonamide
CAS Number:
1016790-21-8
Molecular Formula:
C12H14N2O3S
Molecular Weight:
266.3162
MDL Number:
MFCD09942846
IUPAC Name:
4-cyano-N-(oxolan-2-ylmethyl)benzenesulfonamide
InChI:
InChI=1S/C12H14N2O3S/c13-8-10-3-5-12(6-4-10)18(15,16)14-9-11-2-1-7-17-11/h3-6,11,14H,1-2,7,9H2
InChI Key:
XNLAYXFXWXYRNR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)S(=O)(=O)NCC1CCCO1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.315g/mol
Monoisotopic Mass:
266.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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