1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide

C10H11BrO2S — CID 102537231

IUPAC1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide
SMILESO=S(=O)(Br)C1CCCc2ccccc21
InChIInChI=1S/C10H11BrO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2
InChIKeyHXSKHPONUZCFAX-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.79
Rot. Bonds1

About 1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide

1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide (PubChem CID 102537231) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide
PubChem CID102537231
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Name1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide
SMILESO=S(=O)(Br)C1CCCc2ccccc21
InChIInChI=1S/C10H11BrO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2
InChIKeyHXSKHPONUZCFAX-UHFFFAOYSA-N
XLogP2.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
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4-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonic acid
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide?
The IUPAC name of 1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide (CID 102537231) is 1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide is O=S(=O)(Br)C1CCCc2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide?
The InChIKey is HXSKHPONUZCFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide?
1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide has a molecular weight of 275.17 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide is sourced from PubChem (CID 102537231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).