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1199773-46-0 | Benzenesulfonamide, 4-(4-bromo-1H-pyrazol-1-yl)-N-(2-furanylmethyl)-
CAS No: 1199773-46-0 Catalog No: AG000PYA MDL No:MFCD13195743
Product Description
Catalog Number:
AG000PYA
Chemical Name:
Benzenesulfonamide, 4-(4-bromo-1H-pyrazol-1-yl)-N-(2-furanylmethyl)-
CAS Number:
1199773-46-0
Molecular Formula:
C14H12BrN3O3S
Molecular Weight:
382.2324
MDL Number:
MFCD13195743
IUPAC Name:
4-(4-bromopyrazol-1-yl)-N-(furan-2-ylmethyl)benzenesulfonamide
InChI:
InChI=1S/C14H12BrN3O3S/c15-11-8-16-18(10-11)12-3-5-14(6-4-12)22(19,20)17-9-13-2-1-7-21-13/h1-8,10,17H,9H2
InChI Key:
BYVLTOZSKNDWGC-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)c1ccc(cc1)S(=O)(=O)NCc1ccco1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.978g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.232g/mol
Monoisotopic Mass:
380.978g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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