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339018-40-5 | 4-iodo-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide
CAS No: 339018-40-5 Catalog No: AG00IRW9 MDL No:MFCD01443761
Product Description
Catalog Number:
AG00IRW9
Chemical Name:
4-iodo-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide
CAS Number:
339018-40-5
Molecular Formula:
C12H11IN2O2S
Molecular Weight:
374.1974
MDL Number:
MFCD01443761
IUPAC Name:
4-iodo-N-(pyridin-3-ylmethyl)benzenesulfonamide
InChI:
InChI=1S/C12H11IN2O2S/c13-11-3-5-12(6-4-11)18(16,17)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
InChI Key:
NNXBSEFZRAXMHT-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)S(=O)(=O)NCc1cccnc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.959g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.196g/mol
Monoisotopic Mass:
373.959g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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