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478077-58-6 | 4-methoxy-N-{2-[(4-methyl-1,2,3-thiadiazol-5-yl)sulfanyl]ethyl}benzene-1-sulfonamide
CAS No: 478077-58-6 Catalog No: AG00IQNB MDL No:MFCD02186375
Product Description
Catalog Number:
AG00IQNB
Chemical Name:
4-methoxy-N-{2-[(4-methyl-1,2,3-thiadiazol-5-yl)sulfanyl]ethyl}benzene-1-sulfonamide
CAS Number:
478077-58-6
Molecular Formula:
C12H15N3O3S3
Molecular Weight:
345.4608
MDL Number:
MFCD02186375
IUPAC Name:
4-methoxy-N-[2-(4-methylthiadiazol-5-yl)sulfanylethyl]benzenesulfonamide
InChI:
InChI=1S/C12H15N3O3S3/c1-9-12(20-15-14-9)19-8-7-13-21(16,17)11-5-3-10(18-2)4-6-11/h3-6,13H,7-8H2,1-2H3
InChI Key:
NJDFIQLNAREQBV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)NCCSc1snnc1C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.028g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.45g/mol
Monoisotopic Mass:
345.028g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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