N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide

C16H21F2N3O2S — CID 37309071

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)Cc2nccn2C(F)F)c1C
InChIInChI=1S/C16H21F2N3O2S/c1-10-8-11(2)13(4)15(12(10)3)24(22,23)20(5)9-14-19-6-7-21(14)16(17)18/h6-8,16H,9H2,1-5H3
InChIKeyXSTJILQOXCLODP-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.33
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide (PubChem CID 37309071) has the molecular formula C16H21F2N3O2S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide
PubChem CID37309071
Molecular FormulaC16H21F2N3O2S
Molecular Weight357.43 g/mol
Exact Mass357.13
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)Cc2nccn2C(F)F)c1C
InChIInChI=1S/C16H21F2N3O2S/c1-10-8-11(2)13(4)15(12(10)3)24(22,23)20(5)9-14-19-6-7-21(14)16(17)18/h6-8,16H,9H2,1-5H3
InChIKeyXSTJILQOXCLODP-UHFFFAOYSA-N
XLogP3.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide (CID 37309071) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)N(C)Cc2nccn2C(F)F)c1C.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide?
The InChIKey is XSTJILQOXCLODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2S/c1-10-8-11(2)13(4)15(12(10)3)24(22,23)20(5)9-14-19-6-7-21(14)16(17)18/h6-8,16H,9H2,1-5H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide has a molecular weight of 357.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 37309071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).