3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride

C9H9ClF2O3S — CID 115704040

IUPAC3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride
SMILESCC(C)Oc1c(F)cc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C9H9ClF2O3S/c1-5(2)15-9-7(11)3-6(4-8(9)12)16(10,13)14/h3-5H,1-2H3
InChIKeyDNDISNWMEFPUEC-UHFFFAOYSA-N
MW270.68 g/mol
LogP2.68
Rot. Bonds3

About 3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride

3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride (PubChem CID 115704040) has the molecular formula C9H9ClF2O3S and a molecular weight of 270.68 g/mol. Its IUPAC name is 3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride
PubChem CID115704040
Molecular FormulaC9H9ClF2O3S
Molecular Weight270.68 g/mol
Exact Mass269.99
IUPAC Name3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride
SMILESCC(C)Oc1c(F)cc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C9H9ClF2O3S/c1-5(2)15-9-7(11)3-6(4-8(9)12)16(10,13)14/h3-5H,1-2H3
InChIKeyDNDISNWMEFPUEC-UHFFFAOYSA-N
XLogP2.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride 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 3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride?
The IUPAC name of 3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride (CID 115704040) is 3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride.
What is the SMILES notation for 3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride?
The canonical SMILES for 3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride is CC(C)Oc1c(F)cc(S(=O)(=O)Cl)cc1F.
What is the InChIKey of 3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride?
The InChIKey is DNDISNWMEFPUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O3S/c1-5(2)15-9-7(11)3-6(4-8(9)12)16(10,13)14/h3-5H,1-2H3.
What are the key properties of 3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride?
3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride has a molecular weight of 270.68 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-propan-2-yloxybenzenesulfonyl chloride is sourced from PubChem (CID 115704040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).