N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

C12H17F2N5O2S — CID 78849341

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C12H17F2N5O2S/c1-8-11(9(2)18(4)16-8)22(20,21)17(3)7-10-15-5-6-19(10)12(13)14/h5-6,12H,7H2,1-4H3
InChIKeyAGISNOYCQSICBI-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.45
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (PubChem CID 78849341) has the molecular formula C12H17F2N5O2S and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
PubChem CID78849341
Molecular FormulaC12H17F2N5O2S
Molecular Weight333.36 g/mol
Exact Mass333.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(C)Cc1nccn1C(F)F
InChIInChI=1S/C12H17F2N5O2S/c1-8-11(9(2)18(4)16-8)22(20,21)17(3)7-10-15-5-6-19(10)12(13)14/h5-6,12H,7H2,1-4H3
InChIKeyAGISNOYCQSICBI-UHFFFAOYSA-N
XLogP1.45
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (CID 78849341) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(C)Cc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The InChIKey is AGISNOYCQSICBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N5O2S/c1-8-11(9(2)18(4)16-8)22(20,21)17(3)7-10-15-5-6-19(10)12(13)14/h5-6,12H,7H2,1-4H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide has a molecular weight of 333.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is sourced from PubChem (CID 78849341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).