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1199773-41-5 | Benzenesulfonamide, 4-(4-bromo-1H-pyrazol-1-yl)-N-butyl-
CAS No: 1199773-41-5 Catalog No: AG000PYF MDL No:MFCD13195728
Product Description
Catalog Number:
AG000PYF
Chemical Name:
Benzenesulfonamide, 4-(4-bromo-1H-pyrazol-1-yl)-N-butyl-
CAS Number:
1199773-41-5
Molecular Formula:
C13H16BrN3O2S
Molecular Weight:
358.2540
MDL Number:
MFCD13195728
IUPAC Name:
4-(4-bromopyrazol-1-yl)-N-butylbenzenesulfonamide
InChI:
InChI=1S/C13H16BrN3O2S/c1-2-3-8-16-20(18,19)13-6-4-12(5-7-13)17-10-11(14)9-15-17/h4-7,9-10,16H,2-3,8H2,1H3
InChI Key:
QYGWYBRUHYBDBA-UHFFFAOYSA-N
SMILES:
CCCCNS(=O)(=O)c1ccc(cc1)n1ncc(c1)Br
Properties
Complexity:
391
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:
6
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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