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4-Azidobenzenesulfonamide

CAT: 0804-HY-137154Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-137154Size:1 Each
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Description
4-Azidobenzenesulfonamide (Compound 12) is a precursor for the synthesis of 1,2,3-triazoles[1].
CAS Number
36326-86-0
UNSPSC
12352005
Hazard Statement
H301-H311-H331-H372
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
90.000000
Smiles
O=S(C1=CC=C(N=[N+]=[N-])C=C1)(N)=O
Molecular Formula
C6H6N4O2S
Molecular Weight
198.20
Precautions
P260-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501
References & Citations
[1]Kuma R, et, al. Design and synthesis of novel benzenesulfonamide containing 1,2,3-triazoles as potent human carbonic anhydrase isoforms I, II, IV and IX inhibitors. Eur J Med Chem. 2018 Jul 15:155:545-551.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-Azidobenzenesulfonamide

4-Azidobenzenesulfonamide is an azide.

CAS Number36326-86-0
PubChem CID3558590
IUPAC Name4-azidobenzenesulfonamide
Molecular FormulaC6H6N4O2S
Molecular Weight198.21
XLogP1.6
Topological Polar Surface Area82.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity306
SMILES
C1=CC(=CC=C1N=[N+]=[N-])S(=O)(=O)N
InChI
InChI=1S/C6H6N4O2S/c7-10-9-5-1-3-6(4-2-5)13(8,11)12/h1-4H,(H2,8,11,12)
InChIKey
UZEFHQIOSJWWSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Azidobenzenesulfonamide
CAS: 36326-86-0
CID: 3558590
Formula: C6H6N4O2S
MW: 198.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.21
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass198.02114662
Monoisotopic Mass198.02114662
Topological Polar Surface Area82.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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