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

C14H15ClFN3O4S — CID 75396155

IUPAC8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)C1=O
InChIInChI=1S/C14H15ClFN3O4S/c1-18-12(20)14(17-13(18)21)5-7-19(8-6-14)24(22,23)10-4-2-3-9(15)11(10)16/h2-4H,5-8H2,1H3,(H,17,21)
InChIKeyAMGPNRCBIQCVLH-UHFFFAOYSA-N
MW375.81 g/mol
LogP1.18
Rot. Bonds2

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

8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 75396155) has the molecular formula C14H15ClFN3O4S and a molecular weight of 375.81 g/mol. Its IUPAC name is 8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID75396155
Molecular FormulaC14H15ClFN3O4S
Molecular Weight375.81 g/mol
Exact Mass375.05
IUPAC Name8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)C1=O
InChIInChI=1S/C14H15ClFN3O4S/c1-18-12(20)14(17-13(18)21)5-7-19(8-6-14)24(22,23)10-4-2-3-9(15)11(10)16/h2-4H,5-8H2,1H3,(H,17,21)
InChIKeyAMGPNRCBIQCVLH-UHFFFAOYSA-N
XLogP1.18
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 75396155) is 8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)NC2(CCN(S(=O)(=O)c3cccc(Cl)c3F)CC2)C1=O.
What is the InChIKey of 8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is AMGPNRCBIQCVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O4S/c1-18-12(20)14(17-13(18)21)5-7-19(8-6-14)24(22,23)10-4-2-3-9(15)11(10)16/h2-4H,5-8H2,1H3,(H,17,21).
What are the key properties of 8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 375.81 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 75396155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).