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

C12H14ClN3O4S — CID 110722226

IUPAC1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide
SMILESO=C1NC(=O)C(CCNS(=O)(=O)Cc2ccc(Cl)cc2)N1
InChIInChI=1S/C12H14ClN3O4S/c13-9-3-1-8(2-4-9)7-21(19,20)14-6-5-10-11(17)16-12(18)15-10/h1-4,10,14H,5-7H2,(H2,15,16,17,18)
InChIKeyQUUVGWKVVFWAGN-UHFFFAOYSA-N
MW331.78 g/mol
LogP0.36
Rot. Bonds6

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

1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide (PubChem CID 110722226) 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-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide
PubChem CID110722226
Molecular FormulaC12H14ClN3O4S
Molecular Weight331.78 g/mol
Exact Mass331.04
IUPAC Name1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide
SMILESO=C1NC(=O)C(CCNS(=O)(=O)Cc2ccc(Cl)cc2)N1
InChIInChI=1S/C12H14ClN3O4S/c13-9-3-1-8(2-4-9)7-21(19,20)14-6-5-10-11(17)16-12(18)15-10/h1-4,10,14H,5-7H2,(H2,15,16,17,18)
InChIKeyQUUVGWKVVFWAGN-UHFFFAOYSA-N
XLogP0.36
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 50.36
H-Bond Donors ≤ 53
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-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide (CID 110722226) is 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide is O=C1NC(=O)C(CCNS(=O)(=O)Cc2ccc(Cl)cc2)N1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide?
The InChIKey is QUUVGWKVVFWAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O4S/c13-9-3-1-8(2-4-9)7-21(19,20)14-6-5-10-11(17)16-12(18)15-10/h1-4,10,14H,5-7H2,(H2,15,16,17,18).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide has a molecular weight of 331.78 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 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-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110722226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).