(1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid

C5H6Cl2N2O5S — CID 46206903

IUPAC(1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid
SMILESCC1(CS(=O)(=O)O)C(=O)N(Cl)C(=O)N1Cl
InChIInChI=1S/C5H6Cl2N2O5S/c1-5(2-15(12,13)14)3(10)8(6)4(11)9(5)7/h2H2,1H3,(H,12,13,14)
InChIKeyNEBQOGRQUVLBHK-UHFFFAOYSA-N
MW277.09 g/mol
LogP0.20
Rot. Bonds2

About (1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid

(1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid (PubChem CID 46206903) has the molecular formula C5H6Cl2N2O5S and a molecular weight of 277.09 g/mol. Its IUPAC name is (1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid.

Molecular Properties

Compound Name(1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid
PubChem CID46206903
Molecular FormulaC5H6Cl2N2O5S
Molecular Weight277.09 g/mol
Exact Mass275.94
IUPAC Name(1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid
SMILESCC1(CS(=O)(=O)O)C(=O)N(Cl)C(=O)N1Cl
InChIInChI=1S/C5H6Cl2N2O5S/c1-5(2-15(12,13)14)3(10)8(6)4(11)9(5)7/h2H2,1H3,(H,12,13,14)
InChIKeyNEBQOGRQUVLBHK-UHFFFAOYSA-N
XLogP0.20
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid?
The IUPAC name of (1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid (CID 46206903) is (1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid.
What is the SMILES notation for (1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid?
The canonical SMILES for (1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid is CC1(CS(=O)(=O)O)C(=O)N(Cl)C(=O)N1Cl.
What is the InChIKey of (1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid?
The InChIKey is NEBQOGRQUVLBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N2O5S/c1-5(2-15(12,13)14)3(10)8(6)4(11)9(5)7/h2H2,1H3,(H,12,13,14).
What are the key properties of (1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid?
(1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid has a molecular weight of 277.09 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dichloro-4-methyl-2,5-dioxoimidazolidin-4-yl)methanesulfonic acid is sourced from PubChem (CID 46206903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).