N-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide

C13H17N3O2S — CID 20958626

IUPACN-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C13H17N3O2S/c1-3-16(9-12-7-5-4-6-8-12)19(17,18)13-10-15(2)11-14-13/h4-8,10-11H,3,9H2,1-2H3
InChIKeyNXAWRCUIFODAIN-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.63
Rot. Bonds5

About N-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide

N-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide (PubChem CID 20958626) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide
PubChem CID20958626
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C13H17N3O2S/c1-3-16(9-12-7-5-4-6-8-12)19(17,18)13-10-15(2)11-14-13/h4-8,10-11H,3,9H2,1-2H3
InChIKeyNXAWRCUIFODAIN-UHFFFAOYSA-N
XLogP1.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide (CID 20958626) is N-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide?
The InChIKey is NXAWRCUIFODAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-16(9-12-7-5-4-6-8-12)19(17,18)13-10-15(2)11-14-13/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide?
N-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 20958626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).