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4-Methylpyridine-2-sulfonamide

CAT: 0127-OR88938-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR88938-01Size:100 mg
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CAS Number
65938-78-5
MDL Number
MFCD11656590
Purity
98%
Smiles
O=S(C1=NC=CC(C)=C1)(N)=O

Chemical Information

4-Methylpyridine-2-sulfonamide
CAS Number65938-78-5
PubChem CID12295470
IUPAC Name4-methylpyridine-2-sulfonamide
Molecular FormulaC6H8N2O2S
Molecular Weight172.21
XLogP0.1
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity219
SMILES
CC1=CC(=NC=C1)S(=O)(=O)N
InChI
InChI=1S/C6H8N2O2S/c1-5-2-3-8-6(4-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
InChIKey
FBMGULVEPROMAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylpyridine-2-sulfonamide
CAS: 65938-78-5
CID: 12295470
Formula: C6H8N2O2S
MW: 172.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight172.21
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass172.03064868
Monoisotopic Mass172.03064868
Topological Polar Surface Area81.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity219
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