2-Aminosulfonyl-N,N-dimethylnicotinamide

C₈H₁₁N₃O₃SCAS 112006-75-4229.25 g/mol

Open in Covalent MOL file

Amide Sulfonamide

Properties

Molecular formula: C₈H₁₁N₃O₃S
Molar mass: 229.25 g/mol
Exact mass: 229.0521 Da
Melting point: 198–209 °C (decomposes)
logP: -0.57Crippen estimate
Polar surface area: 93.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H317 May cause an allergic skin reactionSensitization, Skin
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 616-088-00-4), via PubChem.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

112006-75-4

SMILES

CN(C)C(=O)c1cccnc1S(N)(=O)=O

InChIKey

WYFKZPLSYVJLRB-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N3O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3,(H2,9,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

3-Pyridinecarboxamide, 2-(aminosulfonyl)-N,N-dimethyl-
2-(Aminosulfonyl)-N,N-dimethyl-3-pyridinecarboxamide
2-Aminosulfonyl-N,N-dimethylnicotamide
N,N-Dimethyl-2-sulfamoylnicotinamide

Work with 2-Aminosulfonyl-N,N-dimethylnicotinamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Nicosulfuron111991-09-445 % similar N,N-Dimethylbenzamide611-74-537 % similar 1-(2-Aminopyridin-3-yl)ethan-1-one65326-33-235 % similar Methyl 2-(aminosulfonyl)benzoate57683-71-335 % similar 1 10-Phenanthroline-5 6-dione 9727318-90-734 % similar 4,5-Diazafluoren-9-one50890-67-034 % similar N-Methylphthalimide550-44-734 % similar 4-Amino-N,N-dimethylbenzamide6331-71-134 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

P-Toluenesulfonylsemicarbazide10396-10-8 Lamivudine134678-17-4 Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate64485-88-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook