N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide

C12H15N3O4S — CID 110722347

IUPACN-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2NC(=O)NC2=O)cc1C
InChIInChI=1S/C12H15N3O4S/c1-7-3-4-9(5-8(7)2)20(18,19)13-6-10-11(16)15-12(17)14-10/h3-5,10,13H,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyGFVMDANAXYWNSQ-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.21
Rot. Bonds4

About N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide

N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 110722347) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
PubChem CID110722347
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2NC(=O)NC2=O)cc1C
InChIInChI=1S/C12H15N3O4S/c1-7-3-4-9(5-8(7)2)20(18,19)13-6-10-11(16)15-12(17)14-10/h3-5,10,13H,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyGFVMDANAXYWNSQ-UHFFFAOYSA-N
XLogP-0.21
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.21
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

N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide
CID 66907731
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide
CID 59710524
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 59710560
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43120052
4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide
CID 59710547
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-methylphenoxy)benzenesulfonamide
CID 70000463
3,4-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide
CID 62322482
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 66908054
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 126766920
2-[(3,4-dimethylphenyl)sulfonylamino]ethanesulfonyl chloride
CID 81357871
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 41412210

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide (CID 110722347) is N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2NC(=O)NC2=O)cc1C.
What is the InChIKey of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is GFVMDANAXYWNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-7-3-4-9(5-8(7)2)20(18,19)13-6-10-11(16)15-12(17)14-10/h3-5,10,13H,6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide?
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110722347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).