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1235403-62-9 | Benzenesulfonamide, 4-[2-(3-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-4-thiazolyl-
CAS No: 1235403-62-9 Catalog No: AG000KRK MDL No:
Product Description
Catalog Number:
AG000KRK
Chemical Name:
Benzenesulfonamide, 4-[2-(3-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-4-thiazolyl-
CAS Number:
1235403-62-9
Molecular Formula:
C18H12Cl2FN5O3S2
Molecular Weight:
500.3540
IUPAC Name:
4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
InChI:
InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)
InChI Key:
ZYSCOUXLBXGGIM-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)c1c[nH]nc1N)Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1
UNII:
25U4N985O2
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.974g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
500.344g/mol
Monoisotopic Mass:
498.974g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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