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955-15-7 | Benzenesulfonamide,4-(3,5-dimethyl-1H-pyrazol-1-yl)-
CAS No: 955-15-7 Catalog No: AG00IJ59 MDL No:MFCD00206073
Product Description
Catalog Number:
AG00IJ59
Chemical Name:
Benzenesulfonamide,4-(3,5-dimethyl-1H-pyrazol-1-yl)-
CAS Number:
955-15-7
Molecular Formula:
C11H13N3O2S
Molecular Weight:
251.3048
MDL Number:
MFCD00206073
IUPAC Name:
4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide
InChI:
InChI=1S/C11H13N3O2S/c1-8-7-9(2)14(13-8)10-3-5-11(6-4-10)17(12,15)16/h3-7H,1-2H3,(H2,12,15,16)
InChI Key:
BJJWJFXXXQZNIU-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)c1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.304g/mol
Monoisotopic Mass:
251.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| 4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-sulfonamide. | Acta crystallographica. Section E, Structure reports online 20110901 |
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