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1696729-28-8 | 2-(1-methyl-1H-pyrazol-4-yl)ethane-1-sulfonamide
CAS No: 1696729-28-8 Catalog No: AG01B3RY MDL No:
Product Description
Catalog Number:
AG01B3RY
Chemical Name:
2-(1-methyl-1H-pyrazol-4-yl)ethane-1-sulfonamide
CAS Number:
1696729-28-8
Molecular Formula:
C6H11N3O2S
Molecular Weight:
189.2354
IUPAC Name:
2-(1-methylpyrazol-4-yl)ethanesulfonamide
InChI:
InChI=1S/C6H11N3O2S/c1-9-5-6(4-8-9)2-3-12(7,10)11/h4-5H,2-3H2,1H3,(H2,7,10,11)
InChI Key:
KOLZIKIHYHQMJO-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)CCS(=O)(=O)N
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.057g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.233g/mol
Monoisotopic Mass:
189.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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