3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride

C9H9Cl2FO3S — CID 165499047

IUPAC3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCOc1cc(F)cc(Cl)c1
InChIInChI=1S/C9H9Cl2FO3S/c10-7-4-8(12)6-9(5-7)15-2-1-3-16(11,13)14/h4-6H,1-3H2
InChIKeyGCQJWDKKGMDARN-UHFFFAOYSA-N
MW287.14 g/mol
LogP2.82
Rot. Bonds5

About 3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride

3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride (PubChem CID 165499047) has the molecular formula C9H9Cl2FO3S and a molecular weight of 287.14 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride
PubChem CID165499047
Molecular FormulaC9H9Cl2FO3S
Molecular Weight287.14 g/mol
Exact Mass285.96
IUPAC Name3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCOc1cc(F)cc(Cl)c1
InChIInChI=1S/C9H9Cl2FO3S/c10-7-4-8(12)6-9(5-7)15-2-1-3-16(11,13)14/h4-6H,1-3H2
InChIKeyGCQJWDKKGMDARN-UHFFFAOYSA-N
XLogP2.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-4-fluorophenoxy)propane-1-sulfonyl chloride
CID 83235024
2-[2-(3-bromo-5-fluorophenoxy)ethoxy]ethanesulfonyl chloride
CID 81325559
3-(4-bromo-3,5-dimethylphenoxy)propane-1-sulfonyl chloride
CID 107727027
3-phenoxypropane-1-sulfonyl chloride
CID 62937989
2-(3-chloro-5-fluorophenoxy)acetic acid
CID 23273755
4-(3-bromo-4-fluorophenoxy)butane-1-sulfonyl chloride
CID 83234939
1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene
CID 59168458
1-(4-chlorobutoxy)-3,5-difluorobenzene
CID 62785225
O-(3-chloro-5-fluorophenyl)hydroxylamine
CID 162421873
6-(2,3,5,6-tetrafluorophenoxy)hexane-1-sulfonyl chloride
CID 103290434
3-[(3-chloro-5-fluorophenoxy)methyl]azetidine
CID 154815248
2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine
CID 70979658

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride?
The IUPAC name of 3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride (CID 165499047) is 3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride is O=S(=O)(Cl)CCCOc1cc(F)cc(Cl)c1.
What is the InChIKey of 3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride?
The InChIKey is GCQJWDKKGMDARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FO3S/c10-7-4-8(12)6-9(5-7)15-2-1-3-16(11,13)14/h4-6H,1-3H2.
What are the key properties of 3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride?
3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride has a molecular weight of 287.14 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluorophenoxy)propane-1-sulfonyl chloride is sourced from PubChem (CID 165499047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).