1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

C14H18F2N4O3S — CID 38867526

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nccn2C(F)F)c1
InChIInChI=1S/C14H18F2N4O3S/c1-3-19(4-2)24(22,23)11-5-6-13(21)18(9-11)10-12-17-7-8-20(12)14(15)16/h5-9,14H,3-4,10H2,1-2H3
InChIKeyQALRJVDOLIJBNM-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.52
Rot. Bonds7

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide (PubChem CID 38867526) has the molecular formula C14H18F2N4O3S and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
PubChem CID38867526
Molecular FormulaC14H18F2N4O3S
Molecular Weight360.39 g/mol
Exact Mass360.11
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nccn2C(F)F)c1
InChIInChI=1S/C14H18F2N4O3S/c1-3-19(4-2)24(22,23)11-5-6-13(21)18(9-11)10-12-17-7-8-20(12)14(15)16/h5-9,14H,3-4,10H2,1-2H3
InChIKeyQALRJVDOLIJBNM-UHFFFAOYSA-N
XLogP1.52
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 17432621
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one
CID 99791421
Prop-2-enamide;trifluoromethanesulfonate;1,2,3-trimethylimidazol-1-ium
CID 174740695
N-methyl-2,2-dioxo-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 56472337
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 56509179
1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]pyridin-2-one
CID 56793668
5-Bromo-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one
CID 60702188
1-[3-(2-methyl-1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72854746
1-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72927137
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyridin-2-one
CID 115582455
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-methylpyridin-2-one
CID 115647619
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-4-methylpyridin-2-one
CID 115647620

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide (CID 38867526) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2nccn2C(F)F)c1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is QALRJVDOLIJBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O3S/c1-3-19(4-2)24(22,23)11-5-6-13(21)18(9-11)10-12-17-7-8-20(12)14(15)16/h5-9,14H,3-4,10H2,1-2H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 360.39 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 38867526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).