[(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride

C4H5ClN2O4S — CID 54593981

IUPAC[(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
SMILESO=C1NC(=O)[C@H](CS(=O)(=O)Cl)N1
InChIInChI=1S/C4H5ClN2O4S/c5-12(10,11)1-2-3(8)7-4(9)6-2/h2H,1H2,(H2,6,7,8,9)/t2-/m0/s1
InChIKeyQRPMKCBTJIZVKF-REOHCLBHSA-N
MW212.61 g/mol
LogP-1.24
Rot. Bonds2

About [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride

[(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride (PubChem CID 54593981) has the molecular formula C4H5ClN2O4S and a molecular weight of 212.61 g/mol. Its IUPAC name is [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
PubChem CID54593981
Molecular FormulaC4H5ClN2O4S
Molecular Weight212.61 g/mol
Exact Mass211.97
IUPAC Name[(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride
SMILESO=C1NC(=O)[C@H](CS(=O)(=O)Cl)N1
InChIInChI=1S/C4H5ClN2O4S/c5-12(10,11)1-2-3(8)7-4(9)6-2/h2H,1H2,(H2,6,7,8,9)/t2-/m0/s1
InChIKeyQRPMKCBTJIZVKF-REOHCLBHSA-N
XLogP-1.24
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride 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 [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
The IUPAC name of [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride (CID 54593981) is [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride.
What is the SMILES notation for [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
The canonical SMILES for [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride is O=C1NC(=O)[C@H](CS(=O)(=O)Cl)N1.
What is the InChIKey of [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
The InChIKey is QRPMKCBTJIZVKF-REOHCLBHSA-N. The full InChI is InChI=1S/C4H5ClN2O4S/c5-12(10,11)1-2-3(8)7-4(9)6-2/h2H,1H2,(H2,6,7,8,9)/t2-/m0/s1.
What are the key properties of [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride?
[(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride has a molecular weight of 212.61 g/mol, XLogP of -1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2,5-dioxoimidazolidin-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 54593981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).