4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione

C10H13ClN4O4S — CID 66067592

IUPAC4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H13ClN4O4S/c1-3-6-9(17)13-7(16)4-15(6)20(18,19)10-8(11)14(2)5-12-10/h5-6H,3-4H2,1-2H3,(H,13,16,17)
InChIKeyBIYFJGDFHSYNCW-UHFFFAOYSA-N
MW320.76 g/mol
LogP-0.50
Rot. Bonds3

About 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione

4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione (PubChem CID 66067592) has the molecular formula C10H13ClN4O4S and a molecular weight of 320.76 g/mol. Its IUPAC name is 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione
PubChem CID66067592
Molecular FormulaC10H13ClN4O4S
Molecular Weight320.76 g/mol
Exact Mass320.03
IUPAC Name4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H13ClN4O4S/c1-3-6-9(17)13-7(16)4-15(6)20(18,19)10-8(11)14(2)5-12-10/h5-6H,3-4H2,1-2H3,(H,13,16,17)
InChIKeyBIYFJGDFHSYNCW-UHFFFAOYSA-N
XLogP-0.50
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione 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

2-((5-Chloro-N-ethyl-1-methyl-1h-imidazole)-4-sulfonamido)-N-methylacetamide
CID 37563445
5-chloro-1-methyl-N-(2-oxoazepan-3-yl)imidazole-4-sulfonamide
CID 45821777
2-[(5-Chloro-1-methylimidazol-4-yl)sulfonyl-cyclopentylamino]acetamide
CID 47298755
2-[Butyl-(5-chloro-1-methylimidazol-4-yl)sulfonylamino]acetamide
CID 47298806
8-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 34095264
1-[4-(5-Chloro-1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]ethanone
CID 35291049
1-(5-Chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 35294197
N-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide
CID 35301206
4-(5-Chloro-1-methylimidazol-4-yl)sulfonylpiperazin-2-one
CID 35301889
2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide
CID 35305343
2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-methylacetamide
CID 35310377
2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 35310551

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione (CID 66067592) is 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione?
The InChIKey is BIYFJGDFHSYNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O4S/c1-3-6-9(17)13-7(16)4-15(6)20(18,19)10-8(11)14(2)5-12-10/h5-6H,3-4H2,1-2H3,(H,13,16,17).
What are the key properties of 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione?
4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione has a molecular weight of 320.76 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66067592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).