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1199773-25-5 | Benzenesulfonamide, 4-(4-bromo-1H-pyrazol-1-yl)-N-(1,1-dimethylethyl)-
CAS No: 1199773-25-5 Catalog No: AG000PXH MDL No:MFCD13195744
Product Description
Catalog Number:
AG000PXH
Chemical Name:
Benzenesulfonamide, 4-(4-bromo-1H-pyrazol-1-yl)-N-(1,1-dimethylethyl)-
CAS Number:
1199773-25-5
Molecular Formula:
C13H16BrN3O2S
Molecular Weight:
358.2540
MDL Number:
MFCD13195744
IUPAC Name:
4-(4-bromopyrazol-1-yl)-N-tert-butylbenzenesulfonamide
InChI:
InChI=1S/C13H16BrN3O2S/c1-13(2,3)16-20(18,19)12-6-4-11(5-7-12)17-9-10(14)8-15-17/h4-9,16H,1-3H3
InChI Key:
UBFWGMAYPYTEJE-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)c1ccc(cc1)S(=O)(=O)NC(C)(C)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.015g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.254g/mol
Monoisotopic Mass:
357.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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