N-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide

C14H19N3O4S — CID 166403010

IUPACN-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NN2CC(=O)NC2=O)cc1
InChIInChI=1S/C14H19N3O4S/c1-4-14(2,3)10-5-7-11(8-6-10)22(20,21)16-17-9-12(18)15-13(17)19/h5-8,16H,4,9H2,1-3H3,(H,15,18,19)
InChIKeyHWNXVDAXNHUKSZ-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.12
Rot. Bonds5

About N-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide

N-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 166403010) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID166403010
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NN2CC(=O)NC2=O)cc1
InChIInChI=1S/C14H19N3O4S/c1-4-14(2,3)10-5-7-11(8-6-10)22(20,21)16-17-9-12(18)15-13(17)19/h5-8,16H,4,9H2,1-3H3,(H,15,18,19)
InChIKeyHWNXVDAXNHUKSZ-UHFFFAOYSA-N
XLogP1.12
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.12
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-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of N-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide (CID 166403010) is N-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)c1ccc(S(=O)(=O)NN2CC(=O)NC2=O)cc1.
What is the InChIKey of N-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is HWNXVDAXNHUKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-4-14(2,3)10-5-7-11(8-6-10)22(20,21)16-17-9-12(18)15-13(17)19/h5-8,16H,4,9H2,1-3H3,(H,15,18,19).
What are the key properties of N-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide?
N-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxoimidazolidin-1-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 166403010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).