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2-Methylpyridine-4-sulfonamide

CAT: 0926-GXC49814-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-GXC49814-01Size:50 mg
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CAS Number
1806498-14-5
MDL Number
MFCD26792832
Smiles
CC1=NC=CC (=C1) S (=O) (=O) N
Molecular Formula
C6H8N2O2S
Molecular Weight
172.21 g/mol
Controlled
No

Chemical Information

2-Methylpyridine-4-sulfonamide
CAS Number1806498-14-5
PubChem CID89304839
IUPAC Name2-methylpyridine-4-sulfonamide
Molecular FormulaC6H8N2O2S
Molecular Weight172.21
XLogP-0.3
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity219
SMILES
CC1=NC=CC(=C1)S(=O)(=O)N
InChI
InChI=1S/C6H8N2O2S/c1-5-4-6(2-3-8-5)11(7,9)10/h2-4H,1H3,(H2,7,9,10)
InChIKey
XOBLVDDIURLHKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylpyridine-4-sulfonamide
CAS: 1806498-14-5
CID: 89304839
Formula: C6H8N2O2S
MW: 172.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight172.21
XLogP3-0.3
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