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P-Sulfamoylbenzaldehyde

CAT: 0127-OR1035330-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1035330-01Size:100 mg
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CAS Number
3240-35-5
Purity
95%
Smiles
O=S(C1=CC=C(C=O)C=C1)(N)=O

Chemical Information

4-Sulfamoylbenzaldehyde

substrate of MAO A; for separate assay of MAO A & MAO B

CAS Number3240-35-5
PubChem CID151088
IUPAC Name4-formylbenzenesulfonamide
Molecular FormulaC7H7NO3S
Molecular Weight185.20
XLogP0.1
Topological Polar Surface Area85.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity246
SMILES
C1=CC(=CC=C1C=O)S(=O)(=O)N
InChI
InChI=1S/C7H7NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-5H,(H2,8,10,11)
InChIKey
PCPUKVSTMLHXQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Sulfamoylbenzaldehyde
CAS: 3240-35-5
CID: 151088
Formula: C7H7NO3S
MW: 185.20
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight185.20
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass185.01466426
Monoisotopic Mass185.01466426
Topological Polar Surface Area85.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity246
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