5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride

C10H11ClO2S — CID 16791488

IUPAC5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2c1CCCC2
InChIInChI=1S/C10H11ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2
InChIKeyWOJRSDINYVOLJK-UHFFFAOYSA-N
MW230.72 g/mol
LogP2.49
Rot. Bonds1

About 5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride

5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride (PubChem CID 16791488) has the molecular formula C10H11ClO2S and a molecular weight of 230.72 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride
PubChem CID16791488
Molecular FormulaC10H11ClO2S
Molecular Weight230.72 g/mol
Exact Mass230.02
IUPAC Name5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2c1CCCC2
InChIInChI=1S/C10H11ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2
InChIKeyWOJRSDINYVOLJK-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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Related Compounds

2-Naphthalenesulfonic acid
CID 8420
Sodium Xylenesulfonate
CID 23668192
Sodium 2-naphthalenesulfonate
CID 23661868
Sodium 1-naphthalenesulfonate
CID 23661867
1,5-Naphthalenedisulfonic acid
CID 6666
1-Naphthalenesulfonic acid
CID 6812
Naphthalenesulfonamide
CID 163571
Disodium 1,5-naphthalenedisulfonate
CID 74248
Naphthalene-2-sulfonamide
CID 232997
1-Naphthalenethiol
CID 68259
2,6-Naphthalenedisulfonic acid
CID 11390
Sodium methylnaphthalenesulfonate
CID 23669609

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride?
The IUPAC name of 5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride (CID 16791488) is 5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride is O=S(=O)(Cl)c1cccc2c1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride?
The InChIKey is WOJRSDINYVOLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2.
What are the key properties of 5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride?
5,6,7,8-tetrahydronaphthalene-1-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-1-sulfonyl chloride is sourced from PubChem (CID 16791488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).