(2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride

C4H5ClN2O4S — CID 87178948

IUPAC(2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride
SMILESO=C1CN(CS(=O)(=O)Cl)C(=O)N1
InChIInChI=1S/C4H5ClN2O4S/c5-12(10,11)2-7-1-3(8)6-4(7)9/h1-2H2,(H,6,8,9)
InChIKeyBRJXGDSWMUIYRL-UHFFFAOYSA-N
MW212.61 g/mol
LogP-0.94
Rot. Bonds2

About (2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride

(2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride (PubChem CID 87178948) has the molecular formula C4H5ClN2O4S and a molecular weight of 212.61 g/mol. Its IUPAC name is (2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride
PubChem CID87178948
Molecular FormulaC4H5ClN2O4S
Molecular Weight212.61 g/mol
Exact Mass211.97
IUPAC Name(2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride
SMILESO=C1CN(CS(=O)(=O)Cl)C(=O)N1
InChIInChI=1S/C4H5ClN2O4S/c5-12(10,11)2-7-1-3(8)6-4(7)9/h1-2H2,(H,6,8,9)
InChIKeyBRJXGDSWMUIYRL-UHFFFAOYSA-N
XLogP-0.94
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
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 (2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride?
The IUPAC name of (2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride (CID 87178948) is (2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride.
What is the SMILES notation for (2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride?
The canonical SMILES for (2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride is O=C1CN(CS(=O)(=O)Cl)C(=O)N1.
What is the InChIKey of (2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride?
The InChIKey is BRJXGDSWMUIYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O4S/c5-12(10,11)2-7-1-3(8)6-4(7)9/h1-2H2,(H,6,8,9).
What are the key properties of (2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride?
(2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride has a molecular weight of 212.61 g/mol, XLogP of -0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxoimidazolidin-1-yl)methanesulfonyl chloride is sourced from PubChem (CID 87178948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).