(2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride

C4H5ClN2O4S — CID 23133471

IUPAC(2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride
SMILESO=C1NC(=O)C(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)
InChIKeyQRPMKCBTJIZVKF-UHFFFAOYSA-N
MW212.61 g/mol
LogP-1.24
Rot. Bonds2

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

(2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride (PubChem CID 23133471) has the molecular formula C4H5ClN2O4S and a molecular weight of 212.61 g/mol. Its IUPAC name is (2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride
PubChem CID23133471
Molecular FormulaC4H5ClN2O4S
Molecular Weight212.61 g/mol
Exact Mass211.97
IUPAC Name(2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride
SMILESO=C1NC(=O)C(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)
InChIKeyQRPMKCBTJIZVKF-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride?
The IUPAC name of (2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride (CID 23133471) is (2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride?
The canonical SMILES for (2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride is O=C1NC(=O)C(CS(=O)(=O)Cl)N1.
What is the InChIKey of (2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride?
The InChIKey is QRPMKCBTJIZVKF-UHFFFAOYSA-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).
What are the key properties of (2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride?
(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 (2,5-dioxoimidazolidin-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 23133471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).