1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide

C12H14ClN3O4S — CID 110719194

IUPAC1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide
SMILESO=C1CNC(=O)N1CCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O4S/c13-10-3-1-9(2-4-10)8-21(19,20)15-5-6-16-11(17)7-14-12(16)18/h1-4,15H,5-8H2,(H,14,18)
InChIKeyNXCRCHNEZNQTHA-UHFFFAOYSA-N
MW331.78 g/mol
LogP0.31
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide

1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide (PubChem CID 110719194) has the molecular formula C12H14ClN3O4S and a molecular weight of 331.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide
PubChem CID110719194
Molecular FormulaC12H14ClN3O4S
Molecular Weight331.78 g/mol
Exact Mass331.04
IUPAC Name1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide
SMILESO=C1CNC(=O)N1CCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O4S/c13-10-3-1-9(2-4-10)8-21(19,20)15-5-6-16-11(17)7-14-12(16)18/h1-4,15H,5-8H2,(H,14,18)
InChIKeyNXCRCHNEZNQTHA-UHFFFAOYSA-N
XLogP0.31
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 50.31
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 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide (CID 110719194) is 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide is O=C1CNC(=O)N1CCNS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide?
The InChIKey is NXCRCHNEZNQTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O4S/c13-10-3-1-9(2-4-10)8-21(19,20)15-5-6-16-11(17)7-14-12(16)18/h1-4,15H,5-8H2,(H,14,18).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide has a molecular weight of 331.78 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110719194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).