3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

C23H26N4O4S — CID 55351934

IUPAC3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc3C2)C(=O)N1CN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H26N4O4S/c28-21-23(11-10-18-6-4-5-7-19(18)16-23)24-22(29)27(21)17-25-12-14-26(15-13-25)32(30,31)20-8-2-1-3-9-20/h1-9H,10-17H2,(H,24,29)
InChIKeyIJOAUMLEQFIWTB-UHFFFAOYSA-N
MW454.55 g/mol
LogP1.43
Rot. Bonds4

About 3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 55351934) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
PubChem CID55351934
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc3C2)C(=O)N1CN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H26N4O4S/c28-21-23(11-10-18-6-4-5-7-19(18)16-23)24-22(29)27(21)17-25-12-14-26(15-13-25)32(30,31)20-8-2-1-3-9-20/h1-9H,10-17H2,(H,24,29)
InChIKeyIJOAUMLEQFIWTB-UHFFFAOYSA-N
XLogP1.43
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 51.43
H-Bond Donors ≤ 51
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'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 55351934) is 3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCc3ccccc3C2)C(=O)N1CN1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is IJOAUMLEQFIWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c28-21-23(11-10-18-6-4-5-7-19(18)16-23)24-22(29)27(21)17-25-12-14-26(15-13-25)32(30,31)20-8-2-1-3-9-20/h1-9H,10-17H2,(H,24,29).
What are the key properties of 3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 454.55 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 55351934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).