4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide

C10H11N3O4S — CID 3050043

IUPAC4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide
SMILESCC1NC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C10H11N3O4S/c1-6-9(14)13(10(15)12-6)7-2-4-8(5-3-7)18(11,16)17/h2-6H,1H3,(H,12,15)(H2,11,16,17)
InChIKeyLSCLIMUEKKRFQU-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.22
Rot. Bonds2

About 4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide

4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide (PubChem CID 3050043) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide
PubChem CID3050043
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide
SMILESCC1NC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C10H11N3O4S/c1-6-9(14)13(10(15)12-6)7-2-4-8(5-3-7)18(11,16)17/h2-6H,1H3,(H,12,15)(H2,11,16,17)
InChIKeyLSCLIMUEKKRFQU-UHFFFAOYSA-N
XLogP-0.22
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.22
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 4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of 4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide (CID 3050043) is 4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide is CC1NC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of 4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is LSCLIMUEKKRFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-6-9(14)13(10(15)12-6)7-2-4-8(5-3-7)18(11,16)17/h2-6H,1H3,(H,12,15)(H2,11,16,17).
What are the key properties of 4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide?
4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 269.28 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2,5-dioxoimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 3050043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).