10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride

C16H23Cl3O3S — CID 160754302

IUPAC10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCCCCCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl3O3S/c17-14-9-10-15(18)16(13-14)22-11-7-5-3-1-2-4-6-8-12-23(19,20)21/h9-10,13H,1-8,11-12H2
InChIKeyRXFMYMZAKZQPBV-UHFFFAOYSA-N
MW401.78 g/mol
LogP6.06
Rot. Bonds12

About 10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride

10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride (PubChem CID 160754302) has the molecular formula C16H23Cl3O3S and a molecular weight of 401.78 g/mol. Its IUPAC name is 10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride.

Molecular Properties

Compound Name10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride
PubChem CID160754302
Molecular FormulaC16H23Cl3O3S
Molecular Weight401.78 g/mol
Exact Mass400.04
IUPAC Name10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCCCCCCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H23Cl3O3S/c17-14-9-10-15(18)16(13-14)22-11-7-5-3-1-2-4-6-8-12-23(19,20)21/h9-10,13H,1-8,11-12H2
InChIKeyRXFMYMZAKZQPBV-UHFFFAOYSA-N
XLogP6.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.78
LogP ≤ 56.06
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

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Frequently Asked Questions

What is the IUPAC name of 10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride?
The IUPAC name of 10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride (CID 160754302) is 10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride.
What is the SMILES notation for 10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride?
The canonical SMILES for 10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride is O=S(=O)(Cl)CCCCCCCCCCOc1cc(Cl)ccc1Cl.
What is the InChIKey of 10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride?
The InChIKey is RXFMYMZAKZQPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl3O3S/c17-14-9-10-15(18)16(13-14)22-11-7-5-3-1-2-4-6-8-12-23(19,20)21/h9-10,13H,1-8,11-12H2.
What are the key properties of 10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride?
10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride has a molecular weight of 401.78 g/mol, XLogP of 6.06, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,5-dichlorophenoxy)decane-1-sulfonyl chloride is sourced from PubChem (CID 160754302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).