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Home > Sulfanilamide > 1235397-05-3
1235397-05-3 | 3-Cyano-4-[2-(1-methyl-1H-pyrazol-5-yl)phenoxy]-N-2-thiazolyl-benzenesulfonamide
CAS No: 1235397-05-3 Catalog No: AG00A1GN MDL No:MFCD28124397
Product Description
Catalog Number:
AG00A1GN
Chemical Name:
3-Cyano-4-[2-(1-methyl-1H-pyrazol-5-yl)phenoxy]-N-2-thiazolyl-benzenesulfonamide
CAS Number:
1235397-05-3
Molecular Formula:
C20H15N5O3S2
Molecular Weight:
437.4948
MDL Number:
MFCD28124397
IUPAC Name:
3-cyano-4-[2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
InChI:
InChI=1S/C20H15N5O3S2/c1-25-17(8-9-23-25)16-4-2-3-5-19(16)28-18-7-6-15(12-14(18)13-21)30(26,27)24-20-22-10-11-29-20/h2-12H,1H3,(H,22,24)
InChI Key:
MKSKJVIBSRUWSZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Oc1ccccc1c1ccnn1C)S(=O)(=O)Nc1nccs1
Properties
Complexity:
737
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.062g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
437.492g/mol
Monoisotopic Mass:
437.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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