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1228779-96-1 | Benzenesulfonamide, 3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]-
CAS No: 1228779-96-1 Catalog No: AG000JNE MDL No:MFCD28142285
Product Description
Catalog Number:
AG000JNE
Chemical Name:
Benzenesulfonamide, 3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]-
CAS Number:
1228779-96-1
Molecular Formula:
C12H17N3O5S
Molecular Weight:
315.3455
MDL Number:
MFCD28142285
IUPAC Name:
3-nitro-4-(oxan-4-ylmethylamino)benzenesulfonamide
InChI:
InChI=1S/C12H17N3O5S/c13-21(18,19)10-1-2-11(12(7-10)15(16)17)14-8-9-3-5-20-6-4-9/h1-2,7,9,14H,3-6,8H2,(H2,13,18,19)
InChI Key:
HNQRHNYBVWICKB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NCC1CCOCC1)S(=O)(=O)N
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.344g/mol
Monoisotopic Mass:
315.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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