5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide

C9H12ClN5O2S — CID 54951041

IUPAC5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCn2cccn2)c1Cl
InChIInChI=1S/C9H12ClN5O2S/c1-14-7-11-9(8(14)10)18(16,17)13-4-6-15-5-2-3-12-15/h2-3,5,7,13H,4,6H2,1H3
InChIKeyLQPYZDWQJKUITR-UHFFFAOYSA-N
MW289.75 g/mol
LogP0.25
Rot. Bonds5

About 5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide (PubChem CID 54951041) has the molecular formula C9H12ClN5O2S and a molecular weight of 289.75 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide
PubChem CID54951041
Molecular FormulaC9H12ClN5O2S
Molecular Weight289.75 g/mol
Exact Mass289.04
IUPAC Name5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCn2cccn2)c1Cl
InChIInChI=1S/C9H12ClN5O2S/c1-14-7-11-9(8(14)10)18(16,17)13-4-6-15-5-2-3-12-15/h2-3,5,7,13H,4,6H2,1H3
InChIKeyLQPYZDWQJKUITR-UHFFFAOYSA-N
XLogP0.25
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.75
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-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 5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide (CID 54951041) is 5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCn2cccn2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide?
The InChIKey is LQPYZDWQJKUITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2S/c1-14-7-11-9(8(14)10)18(16,17)13-4-6-15-5-2-3-12-15/h2-3,5,7,13H,4,6H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide has a molecular weight of 289.75 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 54951041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).