3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide

C23H19ClN4O5S — CID 55369820

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)C1=O
InChIInChI=1S/C23H19ClN4O5S/c1-23(16-9-3-2-4-10-16)21(30)28(22(31)25-23)26-20(29)15-8-7-11-17(14-15)34(32,33)27-19-13-6-5-12-18(19)24/h2-14,27H,1H3,(H,25,31)(H,26,29)
InChIKeyBCYOYMLZXMFBSL-UHFFFAOYSA-N
MW498.95 g/mol
LogP3.25
Rot. Bonds6

About 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide

3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide (PubChem CID 55369820) has the molecular formula C23H19ClN4O5S and a molecular weight of 498.95 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
PubChem CID55369820
Molecular FormulaC23H19ClN4O5S
Molecular Weight498.95 g/mol
Exact Mass498.08
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
SMILESCC1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)C1=O
InChIInChI=1S/C23H19ClN4O5S/c1-23(16-9-3-2-4-10-16)21(30)28(22(31)25-23)26-20(29)15-8-7-11-17(14-15)34(32,33)27-19-13-6-5-12-18(19)24/h2-14,27H,1H3,(H,25,31)(H,26,29)
InChIKeyBCYOYMLZXMFBSL-UHFFFAOYSA-N
XLogP3.25
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.95
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide (CID 55369820) is 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide is CC1(c2ccccc2)NC(=O)N(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)C1=O.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
The InChIKey is BCYOYMLZXMFBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O5S/c1-23(16-9-3-2-4-10-16)21(30)28(22(31)25-23)26-20(29)15-8-7-11-17(14-15)34(32,33)27-19-13-6-5-12-18(19)24/h2-14,27H,1H3,(H,25,31)(H,26,29).
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide has a molecular weight of 498.95 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide is sourced from PubChem (CID 55369820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).