1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine

C16H18N2O4S2 — CID 4049845

IUPAC1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-14-7-9-16(10-8-14)24(21,22)18-12-11-17(13-18)23(19,20)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyNHTCOYCPJRZKLI-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.65
Rot. Bonds4

About 1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine

1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine (PubChem CID 4049845) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine
PubChem CID4049845
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-14-7-9-16(10-8-14)24(21,22)18-12-11-17(13-18)23(19,20)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyNHTCOYCPJRZKLI-UHFFFAOYSA-N
XLogP1.65
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-1,2-Ethanediylbis(4-methylbenzenesulfonamide)
CID 95237
3-Tosyl-1,3,5-triazabicyclo[3.2.1]octane
CID 653810
1,3-Bis-(4-methylphenyl)sulfonylimidazolidine
CID 1354623
N,N'-Ethylenebis(N-methyl-P-toluenesulfonamide)
CID 228118
1-(p-Tosyl)-3,4,4-trimethylimidazolidine
CID 126588
4-Methyl-N,N-bis(2-(((4-methylphenyl)sulfonyl)amino)ethyl)benzenesulfonamide
CID 316685
1H-1,4,7-Triazonine, octahydro-1,4,7-tris((4-methylphenyl)sulfonyl)-
CID 564157
1-[(4-Methylphenyl)sulfonyl]-3-(methylsulfonyl)-2-phenylimidazolidine
CID 3680094
1,3-Bis(phenylsulfonyl)imidazolidine
CID 1354022
n,n',n''-tri-p-tosyldiethylenetriamine,disodium salt
CID 6100341
1,3-Bis-(4-methylphenyl)sulfonyl-2-phenylimidazolidine
CID 2845056
1-(4-Methylphenyl)sulfonyl-3-methylsulfonylimidazolidine
CID 3237602

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine?
The IUPAC name of 1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine (CID 4049845) is 1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine?
The canonical SMILES for 1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)C2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine?
The InChIKey is NHTCOYCPJRZKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-14-7-9-16(10-8-14)24(21,22)18-12-11-17(13-18)23(19,20)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine?
1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine has a molecular weight of 366.46 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylimidazolidine is sourced from PubChem (CID 4049845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).