2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide

C17H15F2N3O2S — CID 72544602

IUPAC2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1nccn1-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C17H15F2N3O2S/c1-12-20-8-9-22(12)15-5-2-13(3-6-15)11-21-25(23,24)17-10-14(18)4-7-16(17)19/h2-10,21H,11H2,1H3
InChIKeyFXEJEZMKUPYQJG-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.94
Rot. Bonds5

About 2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide

2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 72544602) has the molecular formula C17H15F2N3O2S and a molecular weight of 363.39 g/mol. Its IUPAC name is 2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID72544602
Molecular FormulaC17H15F2N3O2S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC Name2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1nccn1-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C17H15F2N3O2S/c1-12-20-8-9-22(12)15-5-2-13(3-6-15)11-21-25(23,24)17-10-14(18)4-7-16(17)19/h2-10,21H,11H2,1H3
InChIKeyFXEJEZMKUPYQJG-UHFFFAOYSA-N
XLogP2.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide (CID 72544602) is 2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide is Cc1nccn1-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of 2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is FXEJEZMKUPYQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S/c1-12-20-8-9-22(12)15-5-2-13(3-6-15)11-21-25(23,24)17-10-14(18)4-7-16(17)19/h2-10,21H,11H2,1H3.
What are the key properties of 2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 363.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 72544602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).