N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide

C17H23F2N3O2S — CID 37309107

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)N(C)Cc2nccn2C(F)F)c(C)c1C
InChIInChI=1S/C17H23F2N3O2S/c1-10-11(2)13(4)16(14(5)12(10)3)25(23,24)21(6)9-15-20-7-8-22(15)17(18)19/h7-8,17H,9H2,1-6H3
InChIKeyURKKGBZXQNHBTF-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.64
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide (PubChem CID 37309107) has the molecular formula C17H23F2N3O2S and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide
PubChem CID37309107
Molecular FormulaC17H23F2N3O2S
Molecular Weight371.45 g/mol
Exact Mass371.15
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)N(C)Cc2nccn2C(F)F)c(C)c1C
InChIInChI=1S/C17H23F2N3O2S/c1-10-11(2)13(4)16(14(5)12(10)3)25(23,24)21(6)9-15-20-7-8-22(15)17(18)19/h7-8,17H,9H2,1-6H3
InChIKeyURKKGBZXQNHBTF-UHFFFAOYSA-N
XLogP3.64
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.64
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,2,3,4,5,6-hexamethylbenzenesulfonamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide (CID 37309107) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)N(C)Cc2nccn2C(F)F)c(C)c1C.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide?
The InChIKey is URKKGBZXQNHBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2S/c1-10-11(2)13(4)16(14(5)12(10)3)25(23,24)21(6)9-15-20-7-8-22(15)17(18)19/h7-8,17H,9H2,1-6H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide has a molecular weight of 371.45 g/mol, XLogP of 3.64, 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,2,3,4,5,6-hexamethylbenzenesulfonamide is sourced from PubChem (CID 37309107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).