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

C22H29N3O3S — CID 56931423

IUPACN-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCCCCCCCc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C22H29N3O3S/c1-2-3-4-5-6-7-18-8-10-19(11-9-18)24-29(27,28)21-14-12-20(13-15-21)25-17-16-23-22(25)26/h8-15,24H,2-7,16-17H2,1H3,(H,23,26)
InChIKeyJFZNRHCQTAOOHK-UHFFFAOYSA-N
MW415.56 g/mol
LogP4.53
Rot. Bonds10

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

N-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (PubChem CID 56931423) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
PubChem CID56931423
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCCCCCCCc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C22H29N3O3S/c1-2-3-4-5-6-7-18-8-10-19(11-9-18)24-29(27,28)21-14-12-20(13-15-21)25-17-16-23-22(25)26/h8-15,24H,2-7,16-17H2,1H3,(H,23,26)
InChIKeyJFZNRHCQTAOOHK-UHFFFAOYSA-N
XLogP4.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 54.53
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 N-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (CID 56931423) is N-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is CCCCCCCc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1.
What is the InChIKey of N-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is JFZNRHCQTAOOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-2-3-4-5-6-7-18-8-10-19(11-9-18)24-29(27,28)21-14-12-20(13-15-21)25-17-16-23-22(25)26/h8-15,24H,2-7,16-17H2,1H3,(H,23,26).
What are the key properties of N-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
N-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 415.56 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 56931423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).