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Home > Sulfanilamide > 1307416-81-4
1307416-81-4 | 1-BENZYL-3,5-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE
CAS No: 1307416-81-4 Catalog No: AG01B2XC MDL No:MFCD13480681
Product Description
Catalog Number:
AG01B2XC
Chemical Name:
1-BENZYL-3,5-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE
CAS Number:
1307416-81-4
Molecular Formula:
C12H15N3O2S
Molecular Weight:
265.3314
MDL Number:
MFCD13480681
IUPAC Name:
1-benzyl-3,5-dimethylpyrazole-4-sulfonamide
InChI:
InChI=1S/C12H15N3O2S/c1-9-12(18(13,16)17)10(2)15(14-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,13,16,17)
InChI Key:
ATXKKWWJKAVCKC-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1S(=O)(=O)N)C)Cc1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.331g/mol
Monoisotopic Mass:
265.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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