5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline

C12H13ClN4O2S — CID 63013184

IUPAC5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline
SMILESNc1cc(Cl)ccc1S(=O)(=O)N1CCn2ccnc2C1
InChIInChI=1S/C12H13ClN4O2S/c13-9-1-2-11(10(14)7-9)20(18,19)17-6-5-16-4-3-15-12(16)8-17/h1-4,7H,5-6,8,14H2
InChIKeyZBMRWZOQXPHKHT-UHFFFAOYSA-N
MW312.78 g/mol
LogP1.32
Rot. Bonds2

About 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline

5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline (PubChem CID 63013184) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline
PubChem CID63013184
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC Name5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline
SMILESNc1cc(Cl)ccc1S(=O)(=O)N1CCn2ccnc2C1
InChIInChI=1S/C12H13ClN4O2S/c13-9-1-2-11(10(14)7-9)20(18,19)17-6-5-16-4-3-15-12(16)8-17/h1-4,7H,5-6,8,14H2
InChIKeyZBMRWZOQXPHKHT-UHFFFAOYSA-N
XLogP1.32
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

7-(5-chloro-2-methoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 110712742
4-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline
CID 63014797
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)pyridin-2-amine
CID 63020721
7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55149786
5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
CID 63014980
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline
CID 63014254
[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-4-fluorophenyl]methanamine
CID 102920759
7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 63018949
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline
CID 63322328
[2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol
CID 107090764
[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine
CID 63024668
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-N-ethylaniline
CID 63021245

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline?
The IUPAC name of 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline (CID 63013184) is 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline.
What is the SMILES notation for 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline?
The canonical SMILES for 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline is Nc1cc(Cl)ccc1S(=O)(=O)N1CCn2ccnc2C1.
What is the InChIKey of 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline?
The InChIKey is ZBMRWZOQXPHKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c13-9-1-2-11(10(14)7-9)20(18,19)17-6-5-16-4-3-15-12(16)8-17/h1-4,7H,5-6,8,14H2.
What are the key properties of 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline?
5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline has a molecular weight of 312.78 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)aniline is sourced from PubChem (CID 63013184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).