1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C19H16F2N2O6S2 — CID 2545559

IUPAC1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N(S(=O)(=O)c2ccccc2F)C(=O)C2(CCCC2)N1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C19H16F2N2O6S2/c20-13-7-1-3-9-15(13)30(26,27)22-17(24)19(11-5-6-12-19)23(18(22)25)31(28,29)16-10-4-2-8-14(16)21/h1-4,7-10H,5-6,11-12H2
InChIKeyJEVOATAESIVYGZ-UHFFFAOYSA-N
MW470.48 g/mol
LogP2.62
Rot. Bonds4

About 1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 2545559) has the molecular formula C19H16F2N2O6S2 and a molecular weight of 470.48 g/mol. Its IUPAC name is 1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID2545559
Molecular FormulaC19H16F2N2O6S2
Molecular Weight470.48 g/mol
Exact Mass470.04
IUPAC Name1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N(S(=O)(=O)c2ccccc2F)C(=O)C2(CCCC2)N1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C19H16F2N2O6S2/c20-13-7-1-3-9-15(13)30(26,27)22-17(24)19(11-5-6-12-19)23(18(22)25)31(28,29)16-10-4-2-8-14(16)21/h1-4,7-10H,5-6,11-12H2
InChIKeyJEVOATAESIVYGZ-UHFFFAOYSA-N
XLogP2.62
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 2545559) is 1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1N(S(=O)(=O)c2ccccc2F)C(=O)C2(CCCC2)N1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is JEVOATAESIVYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O6S2/c20-13-7-1-3-9-15(13)30(26,27)22-17(24)19(11-5-6-12-19)23(18(22)25)31(28,29)16-10-4-2-8-14(16)21/h1-4,7-10H,5-6,11-12H2.
What are the key properties of 1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 470.48 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 2545559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).