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2- (Methylsulfonyl) isonicotinamide

CAT: 0127-OR1057067-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1057067-01Size:100 mg
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CAS Number
1820707-92-3
MDL Number
MFCD28127199
Purity
97%
Smiles
O=C(C1=CC(S(=O)(C)=O)=NC=C1)N

Chemical Information

2-(Methylsulfonyl)isonicotinamide
CAS Number1820707-92-3
PubChem CID68520460
IUPAC Name2-methylsulfonylpyridine-4-carboxamide
Molecular FormulaC7H8N2O3S
Molecular Weight200.22
XLogP-0.7
Topological Polar Surface Area98.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity293
SMILES
CS(=O)(=O)C1=NC=CC(=C1)C(=O)N
InChI
InChI=1S/C7H8N2O3S/c1-13(11,12)6-4-5(7(8)10)2-3-9-6/h2-4H,1H3,(H2,8,10)
InChIKey
MVLQDOUUZWWRRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Methylsulfonyl)isonicotinamide
CAS: 1820707-92-3
CID: 68520460
Formula: C7H8N2O3S
MW: 200.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.22
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass200.02556330
Monoisotopic Mass200.02556330
Topological Polar Surface Area98.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity293
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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Alternative Products

CatalogName
T0552Isonicotinamide
HY-W012843R-01Isonicotinamide (Standard)
TRC-C240800-50MGIvosidenib Isonicotinamide
HY-W012843S-01Isonicotinamide-d4
sc-269880N-Phenyl-isonicotinamide
sc-4979692-Ethyl Isonicotinamide
sc-329251N- (3-Acetylphenyl) isonicotinamide
sc-354487AN- (3-aminophenyl) isonicotinamide
sc-329742N- (4-Acetylphenyl) isonicotinamide

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