5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride

C10H11ClO2S — CID 4868371

IUPAC5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H11ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2
InChIKeyFNEIMPFRVQQOMV-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.49
Rot. Bonds1

About 5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride

5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride (PubChem CID 4868371) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride
PubChem CID4868371
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H11ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2
InChIKeyFNEIMPFRVQQOMV-UHFFFAOYSA-N
XLogP2.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride?
The IUPAC name of 5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride (CID 4868371) is 5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc2c(c1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride?
The InChIKey is FNEIMPFRVQQOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride?
5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride has a molecular weight of 230.72 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalene-2-sulfonyl chloride is sourced from PubChem (CID 4868371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).