N-benzyl-N,1-dimethylimidazole-4-sulfonamide

C12H15N3O2S — CID 2814463

IUPACN-benzyl-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H15N3O2S/c1-14-9-12(13-10-14)18(16,17)15(2)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyBWKPMBHQXBHBED-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.24
Rot. Bonds4

About N-benzyl-N,1-dimethylimidazole-4-sulfonamide

N-benzyl-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 2814463) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-benzyl-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N,1-dimethylimidazole-4-sulfonamide
PubChem CID2814463
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-benzyl-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H15N3O2S/c1-14-9-12(13-10-14)18(16,17)15(2)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKeyBWKPMBHQXBHBED-UHFFFAOYSA-N
XLogP1.24
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-benzyl-N,1-dimethylimidazole-4-sulfonamide (CID 2814463) is N-benzyl-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-benzyl-N,1-dimethylimidazole-4-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-benzyl-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is BWKPMBHQXBHBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-14-9-12(13-10-14)18(16,17)15(2)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of N-benzyl-N,1-dimethylimidazole-4-sulfonamide?
N-benzyl-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 2814463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).