N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide

C12H15N3O4S — CID 110715362

IUPACN-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C12H15N3O4S/c1-3-20(18,19)14-9-6-4-8(5-7-9)10-11(16)15(2)12(17)13-10/h4-7,10,14H,3H2,1-2H3,(H,13,17)
InChIKeyXEAQFHFDMLZZDT-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.67
Rot. Bonds4

About N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide

N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide (PubChem CID 110715362) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide
PubChem CID110715362
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C12H15N3O4S/c1-3-20(18,19)14-9-6-4-8(5-7-9)10-11(16)15(2)12(17)13-10/h4-7,10,14H,3H2,1-2H3,(H,13,17)
InChIKeyXEAQFHFDMLZZDT-UHFFFAOYSA-N
XLogP0.67
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.67
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 N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide (CID 110715362) is N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C2NC(=O)N(C)C2=O)cc1.
What is the InChIKey of N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide?
The InChIKey is XEAQFHFDMLZZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-3-20(18,19)14-9-6-4-8(5-7-9)10-11(16)15(2)12(17)13-10/h4-7,10,14H,3H2,1-2H3,(H,13,17).
What are the key properties of N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide?
N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 110715362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).