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685108-43-4 | N-(1H-indazol-4-yl)-4-iodobenzene-1-sulfonamide
CAS No: 685108-43-4 Catalog No: AG00INJD MDL No:MFCD03617565
Product Description
Catalog Number:
AG00INJD
Chemical Name:
N-(1H-indazol-4-yl)-4-iodobenzene-1-sulfonamide
CAS Number:
685108-43-4
Molecular Formula:
C13H10IN3O2S
Molecular Weight:
399.2069
MDL Number:
MFCD03617565
IUPAC Name:
N-(1H-indazol-4-yl)-4-iodobenzenesulfonamide
InChI:
InChI=1S/C13H10IN3O2S/c14-9-4-6-10(7-5-9)20(18,19)17-13-3-1-2-12-11(13)8-15-16-12/h1-8,17H,(H,15,16)
InChI Key:
LYUMCICBLJAVIP-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)S(=O)(=O)Nc1cccc2c1cn[nH]2
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.954g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.206g/mol
Monoisotopic Mass:
398.954g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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