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

C11H12ClN3O4S — CID 110722375

IUPAC1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide
SMILESO=C1NC(=O)C(CNS(=O)(=O)Cc2ccc(Cl)cc2)N1
InChIInChI=1S/C11H12ClN3O4S/c12-8-3-1-7(2-4-8)6-20(18,19)13-5-9-10(16)15-11(17)14-9/h1-4,9,13H,5-6H2,(H2,14,15,16,17)
InChIKeyQAYGLEZTGAJEIS-UHFFFAOYSA-N
MW317.75 g/mol
LogP-0.03
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide (PubChem CID 110722375) has the molecular formula C11H12ClN3O4S and a molecular weight of 317.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide
PubChem CID110722375
Molecular FormulaC11H12ClN3O4S
Molecular Weight317.75 g/mol
Exact Mass317.02
IUPAC Name1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide
SMILESO=C1NC(=O)C(CNS(=O)(=O)Cc2ccc(Cl)cc2)N1
InChIInChI=1S/C11H12ClN3O4S/c12-8-3-1-7(2-4-8)6-20(18,19)13-5-9-10(16)15-11(17)14-9/h1-4,9,13H,5-6H2,(H2,14,15,16,17)
InChIKeyQAYGLEZTGAJEIS-UHFFFAOYSA-N
XLogP-0.03
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide
CID 110722226
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 110722347
1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(4-phenoxyphenyl)methyl]methanesulfonamide
CID 141127657
4-[[(4-chlorophenyl)methylsulfonylamino]methyl]piperidine-1-carboxylic acid
CID 174678128
4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide
CID 59710547
1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide
CID 141127653
1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
CID 18891250
1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110640715
1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
CID 110404755
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 131930236
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 110327626

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide (CID 110722375) is 1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide is O=C1NC(=O)C(CNS(=O)(=O)Cc2ccc(Cl)cc2)N1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide?
The InChIKey is QAYGLEZTGAJEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4S/c12-8-3-1-7(2-4-8)6-20(18,19)13-5-9-10(16)15-11(17)14-9/h1-4,9,13H,5-6H2,(H2,14,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide has a molecular weight of 317.75 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110722375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).