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112582-68-0 | Pyrazolo[1,5-a]pyrimidine-3-sulfonamide
CAS No: 112582-68-0 Catalog No: AG00826G MDL No:
Product Description
Catalog Number:
AG00826G
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-sulfonamide
CAS Number:
112582-68-0
Molecular Formula:
C6H6N4O2S
Molecular Weight:
198.2024
IUPAC Name:
pyrazolo[1,5-a]pyrimidine-3-sulfonamide
InChI:
InChI=1S/C6H6N4O2S/c7-13(11,12)5-4-9-10-3-1-2-8-6(5)10/h1-4H,(H2,7,11,12)
InChI Key:
XSRAGJVDEXDGDK-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1cnn2c1nccc2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.2g/mol
Monoisotopic Mass:
198.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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