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1199773-15-3 | Benzenesulfonamide, 4-(4-bromo-1H-pyrazol-1-yl)-N-propyl-
CAS No: 1199773-15-3 Catalog No: AG000PXR MDL No:MFCD13195745
Product Description
Catalog Number:
AG000PXR
Chemical Name:
Benzenesulfonamide, 4-(4-bromo-1H-pyrazol-1-yl)-N-propyl-
CAS Number:
1199773-15-3
Molecular Formula:
C12H14BrN3O2S
Molecular Weight:
344.2275
MDL Number:
MFCD13195745
IUPAC Name:
4-(4-bromopyrazol-1-yl)-N-propylbenzenesulfonamide
InChI:
InChI=1S/C12H14BrN3O2S/c1-2-7-15-19(17,18)12-5-3-11(4-6-12)16-9-10(13)8-14-16/h3-6,8-9,15H,2,7H2,1H3
InChI Key:
PHTCWRPMQTVZKP-UHFFFAOYSA-N
SMILES:
CCCNS(=O)(=O)c1ccc(cc1)n1ncc(c1)Br
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.999g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.227g/mol
Monoisotopic Mass:
342.999g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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