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N-Benzylsulfamide

CAT: 0804-HY-79019Size: 1 EachDry Ice: NoHazardous: No
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Description
N-Benzylsulfamide is a benzyl-substituted sulfamide reagent. N-Benzylsulfamide can be used as a synthetic precursor to generate dioxides of bicyclic thiadiazines[1].
CAS Number
14101-58-7
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
O=S(=O)(N)NCC=1C=CC=CC1
Molecular Formula
C7H10N2O2S
Molecular Weight
186.23
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Castro A, et al., Dioxides of bicyclic thiadiazines: a new family of smooth muscle relaxants. Bioorg Med Chem. 1995 Feb;3 (2) :179-85.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

N-benzylaminosulfonamide
CAS Number14101-58-7
PubChem CID12354987
IUPAC Name(sulfamoylamino)methylbenzene
Molecular FormulaC7H10N2O2S
Molecular Weight186.23
XLogP1
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity214
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)N
InChI
InChI=1S/C7H10N2O2S/c8-12(10,11)9-6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,8,10,11)
InChIKey
SYKLNLIUTCAYCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-benzylaminosulfonamide
CAS: 14101-58-7
CID: 12354987
Formula: C7H10N2O2S
MW: 186.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.23
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass186.04629874
Monoisotopic Mass186.04629874
Topological Polar Surface Area80.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity214
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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