5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride

C11H13Cl2FO3S — CID 83053085

IUPAC5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCOc1c(F)cccc1Cl
InChIInChI=1S/C11H13Cl2FO3S/c12-9-5-4-6-10(14)11(9)17-7-2-1-3-8-18(13,15)16/h4-6H,1-3,7-8H2
InChIKeyFPMHTDQGONBMPC-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.60
Rot. Bonds7

About 5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride

5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride (PubChem CID 83053085) has the molecular formula C11H13Cl2FO3S and a molecular weight of 315.19 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride
PubChem CID83053085
Molecular FormulaC11H13Cl2FO3S
Molecular Weight315.19 g/mol
Exact Mass313.99
IUPAC Name5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCOc1c(F)cccc1Cl
InChIInChI=1S/C11H13Cl2FO3S/c12-9-5-4-6-10(14)11(9)17-7-2-1-3-8-18(13,15)16/h4-6H,1-3,7-8H2
InChIKeyFPMHTDQGONBMPC-UHFFFAOYSA-N
XLogP3.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.60
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

6-(2-chloro-6-fluorophenoxy)hexane-1-thiol
CID 83052361
6-(2,3,5,6-tetrafluorophenoxy)hexane-1-sulfonyl chloride
CID 103290434
6-(2-chloro-6-fluorophenoxy)hexan-2-one
CID 83051301
4-(2-chloro-6-fluorophenoxy)butanoic acid
CID 83051076
5-(2-chloro-6-fluorophenoxy)pentanenitrile
CID 83050668
2-(2-chloro-6-fluorophenoxy)ethanethiol
CID 83053804
2-(6-chlorohexoxy)-1,3-difluorobenzene
CID 81268506
10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride
CID 160754302
4-(2-chloro-6-fluorophenoxy)butanethioamide
CID 83051397
3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 83050986
1,3-dichloro-2-(6-chlorohexoxy)benzene
CID 63499301
3-(2-chloro-6-fluorophenoxy)propanethioamide
CID 83051817

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride?
The IUPAC name of 5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride (CID 83053085) is 5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride.
What is the SMILES notation for 5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride?
The canonical SMILES for 5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride is O=S(=O)(Cl)CCCCCOc1c(F)cccc1Cl.
What is the InChIKey of 5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride?
The InChIKey is FPMHTDQGONBMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FO3S/c12-9-5-4-6-10(14)11(9)17-7-2-1-3-8-18(13,15)16/h4-6H,1-3,7-8H2.
What are the key properties of 5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride?
5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride has a molecular weight of 315.19 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride is sourced from PubChem (CID 83053085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).