8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H14ClN3O4S — CID 42109545

IUPAC8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(S(=O)(=O)c3ccccc3Cl)CC2)N1
InChIInChI=1S/C13H14ClN3O4S/c14-9-3-1-2-4-10(9)22(20,21)17-7-5-13(6-8-17)11(18)15-12(19)16-13/h1-4H,5-8H2,(H2,15,16,18,19)
InChIKeyRYURJFKCNVPORM-UHFFFAOYSA-N
MW343.79 g/mol
LogP0.70
Rot. Bonds2

About 8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 42109545) has the molecular formula C13H14ClN3O4S and a molecular weight of 343.79 g/mol. Its IUPAC name is 8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID42109545
Molecular FormulaC13H14ClN3O4S
Molecular Weight343.79 g/mol
Exact Mass343.04
IUPAC Name8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(S(=O)(=O)c3ccccc3Cl)CC2)N1
InChIInChI=1S/C13H14ClN3O4S/c14-9-3-1-2-4-10(9)22(20,21)17-7-5-13(6-8-17)11(18)15-12(19)16-13/h1-4H,5-8H2,(H2,15,16,18,19)
InChIKeyRYURJFKCNVPORM-UHFFFAOYSA-N
XLogP0.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 42109545) is 8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(S(=O)(=O)c3ccccc3Cl)CC2)N1.
What is the InChIKey of 8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is RYURJFKCNVPORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O4S/c14-9-3-1-2-4-10(9)22(20,21)17-7-5-13(6-8-17)11(18)15-12(19)16-13/h1-4H,5-8H2,(H2,15,16,18,19).
What are the key properties of 8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 343.79 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 42109545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).