4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide

C20H25N3O3S — CID 53372872

IUPAC4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide
SMILESCCCCCc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-2-3-4-5-16-6-8-17(9-7-16)22-27(25,26)19-12-10-18(11-13-19)23-15-14-21-20(23)24/h6-13,22H,2-5,14-15H2,1H3,(H,21,24)
InChIKeyCVUHRHZMPOXPBS-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.75
Rot. Bonds8

About 4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide

4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide (PubChem CID 53372872) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is 4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide
PubChem CID53372872
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC Name4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide
SMILESCCCCCc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-2-3-4-5-16-6-8-17(9-7-16)22-27(25,26)19-12-10-18(11-13-19)23-15-14-21-20(23)24/h6-13,22H,2-5,14-15H2,1H3,(H,21,24)
InChIKeyCVUHRHZMPOXPBS-UHFFFAOYSA-N
XLogP3.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide (CID 53372872) is 4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide is CCCCCc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1.
What is the InChIKey of 4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide?
The InChIKey is CVUHRHZMPOXPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-2-3-4-5-16-6-8-17(9-7-16)22-27(25,26)19-12-10-18(11-13-19)23-15-14-21-20(23)24/h6-13,22H,2-5,14-15H2,1H3,(H,21,24).
What are the key properties of 4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide?
4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide has a molecular weight of 387.50 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide is sourced from PubChem (CID 53372872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).