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

C12H14F2N4O3S — CID 17432621

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(Cc2nccn2C(F)F)c1
InChIInChI=1S/C12H14F2N4O3S/c1-16(2)22(20,21)9-3-4-11(19)17(7-9)8-10-15-5-6-18(10)12(13)14/h3-7,12H,8H2,1-2H3
InChIKeyHYWLSAYZPSAIEY-UHFFFAOYSA-N
MW332.33 g/mol
LogP0.74
Rot. Bonds5

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

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (PubChem CID 17432621) has the molecular formula C12H14F2N4O3S and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
PubChem CID17432621
Molecular FormulaC12H14F2N4O3S
Molecular Weight332.33 g/mol
Exact Mass332.08
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(=O)n(Cc2nccn2C(F)F)c1
InChIInChI=1S/C12H14F2N4O3S/c1-16(2)22(20,21)9-3-4-11(19)17(7-9)8-10-15-5-6-18(10)12(13)14/h3-7,12H,8H2,1-2H3
InChIKeyHYWLSAYZPSAIEY-UHFFFAOYSA-N
XLogP0.74
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide (CID 17432621) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(=O)n(Cc2nccn2C(F)F)c1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is HYWLSAYZPSAIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O3S/c1-16(2)22(20,21)9-3-4-11(19)17(7-9)8-10-15-5-6-18(10)12(13)14/h3-7,12H,8H2,1-2H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 332.33 g/mol, XLogP of 0.74, 5 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-dimethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 17432621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).