CAS
955123-29-2 Purity
96%
955123-29-2 Purity
96%
![2-[4-[2-[Dimethyl(trimethylsilylmethyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl-dimethyl-(trimethylsilylmethyl)azanium diiodide](https://resource.alfa-chemistry.com/structure/95521-08-7.gif)
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4-(3,5-Dimethyl-pyrazol-1-yl)benzenesulfonamide
CAS
955-15-7
Catalog Number
ACM955157
Category
Other Products
Molecular Weight
251.304
Molecular Formula
C11H13N3O2S
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Specification
Synonyms
1-(p-Sulfamoylphenyl)-3,5-dimethylpyrazol; 4-(3,5-dimethyl-1h-pyrazol-1-yl)benzenesulfonamide; 4-(3,5-Dimethyl-pyrazol-1-yl)-benzenesulfonamide; 1-(4-Sulfamoyl-phenyl)-3,5-dimethyl-pyrazol; 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonamide; LeadQuest
IUPAC Name
4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide
Canonical SMILES
CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)N)C
InChI Key
BJJWJFXXXQZNIU-UHFFFAOYSA-N
Boiling Point
432.7ºC at 760mmHg
Flash Point
215.5ºC
Density
1.36g/cm³
Exact Mass
251.07300
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound according to the reference?
The molecular formula of the compound is C11H13N3O2S.
What is the molecular weight of the compound?
The molecular weight of the compound is 251.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonamide.
What is the InChI of the compound?
The InChI of the compound is 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).
What is the InChIKey of the compound?
The InChIKey of the compound is BJJWJFXXXQZNIU-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)N)C.
What is the CAS number of the compound?
The CAS number of the compound is 955-15-7.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.3.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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CAS
95517-07-0 Purity
96%
95517-07-0 Purity
96%
