4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride

C16H15ClO3S — CID 114619972

IUPAC4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC2C=CCCC2)c2ccccc12
InChIInChI=1S/C16H15ClO3S/c17-21(18,19)16-11-10-15(13-8-4-5-9-14(13)16)20-12-6-2-1-3-7-12/h2,4-6,8-12H,1,3,7H2
InChIKeyXQNAFQNSVMFVRX-UHFFFAOYSA-N
MW322.81 g/mol
LogP4.25
Rot. Bonds3

About 4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride

4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride (PubChem CID 114619972) has the molecular formula C16H15ClO3S and a molecular weight of 322.81 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride
PubChem CID114619972
Molecular FormulaC16H15ClO3S
Molecular Weight322.81 g/mol
Exact Mass322.04
IUPAC Name4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC2C=CCCC2)c2ccccc12
InChIInChI=1S/C16H15ClO3S/c17-21(18,19)16-11-10-15(13-8-4-5-9-14(13)16)20-12-6-2-1-3-7-12/h2,4-6,8-12H,1,3,7H2
InChIKeyXQNAFQNSVMFVRX-UHFFFAOYSA-N
XLogP4.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride?
The IUPAC name of 4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride (CID 114619972) is 4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride.
What is the SMILES notation for 4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride?
The canonical SMILES for 4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride is O=S(=O)(Cl)c1ccc(OC2C=CCCC2)c2ccccc12.
What is the InChIKey of 4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride?
The InChIKey is XQNAFQNSVMFVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3S/c17-21(18,19)16-11-10-15(13-8-4-5-9-14(13)16)20-12-6-2-1-3-7-12/h2,4-6,8-12H,1,3,7H2.
What are the key properties of 4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride?
4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride has a molecular weight of 322.81 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride is sourced from PubChem (CID 114619972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).