3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride

C8H9FN2O3S — CID 139015622

IUPAC3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride
SMILESCN(C)C(=O)c1cccnc1S(=O)(=O)F
InChIInChI=1S/C8H9FN2O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3
InChIKeyMCDCMSUMVVPXGU-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.44
Rot. Bonds2

About 3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride

3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride (PubChem CID 139015622) has the molecular formula C8H9FN2O3S and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride.

Molecular Properties

Compound Name3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride
PubChem CID139015622
Molecular FormulaC8H9FN2O3S
Molecular Weight232.24 g/mol
Exact Mass232.03
IUPAC Name3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride
SMILESCN(C)C(=O)c1cccnc1S(=O)(=O)F
InChIInChI=1S/C8H9FN2O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3
InChIKeyMCDCMSUMVVPXGU-UHFFFAOYSA-N
XLogP0.44
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dimethylcarbamoyl)-2-pyridinyl] trifluoromethanesulfonate
CID 154017837
2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide
CID 53015798
2-[(5-methoxy-3-pyridinyl)-methylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 167949172
2-[(4-chloro-1H-indazol-5-yl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 166365288
N,N-dimethyl-2-(sulfonylamino)pyridine-3-carboxamide
CID 141318752
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 67617129
potassium 3-(dimethylcarbamoyl)pyridine-2-sulfinate
CID 139621076
N,N-dimethyl-2-(2-methylpropyl)pyridine-3-carboxamide
CID 58286837
tert-butyl (NE)-N-[amino-[[3-(dimethylcarbamoyl)-2-pyridinyl]sulfonylcarbamoylamino]methylidene]carbamate
CID 170452667
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781
6-chloro-3-(dimethylcarbamoyl)pyridine-2-sulfonyl chloride
CID 19876369
3-hydroxy-N,N-dimethylpyridine-2-sulfonamide
CID 91149875

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride?
The IUPAC name of 3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride (CID 139015622) is 3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride.
What is the SMILES notation for 3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride?
The canonical SMILES for 3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride is CN(C)C(=O)c1cccnc1S(=O)(=O)F.
What is the InChIKey of 3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride?
The InChIKey is MCDCMSUMVVPXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3S/c1-11(2)8(12)6-4-3-5-10-7(6)15(9,13)14/h3-5H,1-2H3.
What are the key properties of 3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride?
3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride has a molecular weight of 232.24 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoyl)pyridine-2-sulfonyl fluoride is sourced from PubChem (CID 139015622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).