oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate

C10H6Cl3FO5S — CID 102608571

IUPACoxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate
SMILESO=C(OC1COC1)c1cc(F)c(Cl)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C10H6Cl3FO5S/c11-7-5(10(15)19-4-2-18-3-4)1-6(14)8(12)9(7)20(13,16)17/h1,4H,2-3H2
InChIKeyZMWOSRPKPYIDRB-UHFFFAOYSA-N
MW363.58 g/mol
LogP2.62
Rot. Bonds3

About oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate

oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate (PubChem CID 102608571) has the molecular formula C10H6Cl3FO5S and a molecular weight of 363.58 g/mol. Its IUPAC name is oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate.

Molecular Properties

Compound Nameoxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate
PubChem CID102608571
Molecular FormulaC10H6Cl3FO5S
Molecular Weight363.58 g/mol
Exact Mass361.90
IUPAC Nameoxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate
SMILESO=C(OC1COC1)c1cc(F)c(Cl)c(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C10H6Cl3FO5S/c11-7-5(10(15)19-4-2-18-3-4)1-6(14)8(12)9(7)20(13,16)17/h1,4H,2-3H2
InChIKeyZMWOSRPKPYIDRB-UHFFFAOYSA-N
XLogP2.62
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.58
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate 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 oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate?
The IUPAC name of oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate (CID 102608571) is oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate.
What is the SMILES notation for oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate?
The canonical SMILES for oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate is O=C(OC1COC1)c1cc(F)c(Cl)c(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate?
The InChIKey is ZMWOSRPKPYIDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3FO5S/c11-7-5(10(15)19-4-2-18-3-4)1-6(14)8(12)9(7)20(13,16)17/h1,4H,2-3H2.
What are the key properties of oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate?
oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate has a molecular weight of 363.58 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 2,4-dichloro-3-chlorosulfonyl-5-fluorobenzoate is sourced from PubChem (CID 102608571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).