4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide

C16H15N3O4S — CID 3050041

IUPAC4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide
SMILESCc1ccccc1N1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C16H15N3O4S/c1-11-4-2-3-5-14(11)18-10-15(20)19(16(18)21)12-6-8-13(9-7-12)24(17,22)23/h2-9H,10H2,1H3,(H2,17,22,23)
InChIKeyJFYZEMSBUPZSJF-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.62
Rot. Bonds3

About 4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide

4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide (PubChem CID 3050041) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide
PubChem CID3050041
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide
SMILESCc1ccccc1N1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C16H15N3O4S/c1-11-4-2-3-5-14(11)18-10-15(20)19(16(18)21)12-6-8-13(9-7-12)24(17,22)23/h2-9H,10H2,1H3,(H2,17,22,23)
InChIKeyJFYZEMSBUPZSJF-UHFFFAOYSA-N
XLogP1.62
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
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-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide (CID 3050041) is 4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide is Cc1ccccc1N1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of 4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide?
The InChIKey is JFYZEMSBUPZSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-11-4-2-3-5-14(11)18-10-15(20)19(16(18)21)12-6-8-13(9-7-12)24(17,22)23/h2-9H,10H2,1H3,(H2,17,22,23).
What are the key properties of 4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide?
4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide has a molecular weight of 345.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylphenyl)-2,5-dioxoimidazolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 3050041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).