N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide

C12H14ClN3O2S — CID 35288819

IUPACN-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C12H14ClN3O2S/c1-15-9-14-12(11(15)13)19(17,18)16(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyZFXJECLJCCJVON-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.89
Rot. Bonds4

About N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide

N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 35288819) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide
PubChem CID35288819
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC NameN-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C12H14ClN3O2S/c1-15-9-14-12(11(15)13)19(17,18)16(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyZFXJECLJCCJVON-UHFFFAOYSA-N
XLogP1.89
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide (CID 35288819) is N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is ZFXJECLJCCJVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-15-9-14-12(11(15)13)19(17,18)16(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide?
N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 299.78 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 35288819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).