4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide

C18H19N3O2S — CID 25025229

IUPAC4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(N)(=O)=O)cc2)n(Cc2ccccc2)c1C
InChIInChI=1S/C18H19N3O2S/c1-13-14(2)21(12-15-6-4-3-5-7-15)18(20-13)16-8-10-17(11-9-16)24(19,22)23/h3-11H,12H2,1-2H3,(H2,19,22,23)
InChIKeyIFJQYBHBJQKOFU-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.86
Rot. Bonds4

About 4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide

4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide (PubChem CID 25025229) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide
PubChem CID25025229
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(N)(=O)=O)cc2)n(Cc2ccccc2)c1C
InChIInChI=1S/C18H19N3O2S/c1-13-14(2)21(12-15-6-4-3-5-7-15)18(20-13)16-8-10-17(11-9-16)24(19,22)23/h3-11H,12H2,1-2H3,(H2,19,22,23)
InChIKeyIFJQYBHBJQKOFU-UHFFFAOYSA-N
XLogP2.86
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide (CID 25025229) is 4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide is Cc1nc(-c2ccc(S(N)(=O)=O)cc2)n(Cc2ccccc2)c1C.
What is the InChIKey of 4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide?
The InChIKey is IFJQYBHBJQKOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-14(2)21(12-15-6-4-3-5-7-15)18(20-13)16-8-10-17(11-9-16)24(19,22)23/h3-11H,12H2,1-2H3,(H2,19,22,23).
What are the key properties of 4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide?
4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-4,5-dimethylimidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 25025229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).