biphenylene-1-sulfonyl chloride

C12H7ClO2S — CID 174861864

IUPACbiphenylene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2c1-c1ccccc1-2
InChIInChI=1S/C12H7ClO2S/c13-16(14,15)11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H
InChIKeyYNCKXSFFXZWFGG-UHFFFAOYSA-N
MW250.71 g/mol
LogP3.26
Rot. Bonds1

About biphenylene-1-sulfonyl chloride

biphenylene-1-sulfonyl chloride (PubChem CID 174861864) has the molecular formula C12H7ClO2S and a molecular weight of 250.71 g/mol. Its IUPAC name is biphenylene-1-sulfonyl chloride.

Molecular Properties

Compound Namebiphenylene-1-sulfonyl chloride
PubChem CID174861864
Molecular FormulaC12H7ClO2S
Molecular Weight250.71 g/mol
Exact Mass249.99
IUPAC Namebiphenylene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2c1-c1ccccc1-2
InChIInChI=1S/C12H7ClO2S/c13-16(14,15)11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H
InChIKeyYNCKXSFFXZWFGG-UHFFFAOYSA-N
XLogP3.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of biphenylene-1-sulfonyl chloride?
The IUPAC name of biphenylene-1-sulfonyl chloride (CID 174861864) is biphenylene-1-sulfonyl chloride.
What is the SMILES notation for biphenylene-1-sulfonyl chloride?
The canonical SMILES for biphenylene-1-sulfonyl chloride is O=S(=O)(Cl)c1cccc2c1-c1ccccc1-2.
What is the InChIKey of biphenylene-1-sulfonyl chloride?
The InChIKey is YNCKXSFFXZWFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClO2S/c13-16(14,15)11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H.
What are the key properties of biphenylene-1-sulfonyl chloride?
biphenylene-1-sulfonyl chloride has a molecular weight of 250.71 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene-1-sulfonyl chloride is sourced from PubChem (CID 174861864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).