4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide

C8H10F2N6O2S — CID 165376985

IUPAC4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(-c2cnnn2C(F)F)c1
InChIInChI=1S/C8H10F2N6O2S/c1-14(2)19(17,18)15-4-6(11-5-15)7-3-12-13-16(7)8(9)10/h3-5,8H,1-2H3
InChIKeyZEMGTIUDBXCPFC-UHFFFAOYSA-N
MW292.27 g/mol
LogP0.19
Rot. Bonds4

About 4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide

4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide (PubChem CID 165376985) has the molecular formula C8H10F2N6O2S and a molecular weight of 292.27 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide
PubChem CID165376985
Molecular FormulaC8H10F2N6O2S
Molecular Weight292.27 g/mol
Exact Mass292.06
IUPAC Name4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1cnc(-c2cnnn2C(F)F)c1
InChIInChI=1S/C8H10F2N6O2S/c1-14(2)19(17,18)15-4-6(11-5-15)7-3-12-13-16(7)8(9)10/h3-5,8H,1-2H3
InChIKeyZEMGTIUDBXCPFC-UHFFFAOYSA-N
XLogP0.19
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4,4'-Bisimidazole, 2,2'-difluoro-1,1'-dimethyl-
CID 607734
1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole
CID 165376979
3,3'-dimethyl-3H,3'H-4,4'-biimidazole
CID 138115344
4-(3-Methylimidazol-4-yl)-1-(5,5,6,6,7,7,8,8,8-nonafluorooctyl)triazole
CID 101785254
1-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluorododecyl)-4-(3-methylimidazol-4-yl)triazole
CID 101785255
1-Tert-butyl-4-(3-methylimidazol-4-yl)triazole
CID 57624572
5-(1-Methyl-1h-imidazol-5-yl)-1h-1,2,3-triazole
CID 70322643
1-Ethyl-4-(3-methylimidazol-4-yl)triazole
CID 89012094
1-Methyl-4-(3-methylimidazol-4-yl)triazole
CID 89282957
1-Methyl-4-(1-methylimidazol-4-yl)imidazole
CID 141157078
4-(3-Methylimidazol-4-yl)-1-(2-methylpropyl)triazole
CID 156387442
1-(2,2-Dimethylpropyl)-4-(3-methylimidazol-4-yl)triazole
CID 156683347

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide (CID 165376985) is 4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide is CN(C)S(=O)(=O)n1cnc(-c2cnnn2C(F)F)c1.
What is the InChIKey of 4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide?
The InChIKey is ZEMGTIUDBXCPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N6O2S/c1-14(2)19(17,18)15-4-6(11-5-15)7-3-12-13-16(7)8(9)10/h3-5,8H,1-2H3.
What are the key properties of 4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide?
4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide has a molecular weight of 292.27 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)triazol-4-yl]-N,N-dimethylimidazole-1-sulfonamide is sourced from PubChem (CID 165376985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).