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160822-47-9 | 3-Pyridinesulfonamide, 4-[(3-methylphenyl)amino]-, hydrochloride (1:1)
CAS No: 160822-47-9 Catalog No: AG001VDZ MDL No:
Product Description
Catalog Number:
AG001VDZ
Chemical Name:
3-Pyridinesulfonamide, 4-[(3-methylphenyl)amino]-, hydrochloride (1:1)
CAS Number:
160822-47-9
Molecular Formula:
C12H14ClN3O2S
Molecular Weight:
299.7765
IUPAC Name:
4-(3-methylanilino)pyridine-3-sulfonamide;hydrochloride
InChI:
InChI=1S/C12H13N3O2S.ClH/c1-9-3-2-4-10(7-9)15-11-5-6-14-8-12(11)18(13,16)17;/h2-8H,1H3,(H,14,15)(H2,13,16,17);1H
InChI Key:
DVQDVMZQRRICQO-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Nc1ccncc1S(=O)(=O)N.Cl
EC Number:
605-230-0
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.05g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.773g/mol
Monoisotopic Mass:
299.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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