2-bromobenzenesulfonyl chloride;ethane

C8H10BrClO2S — CID 145241155

IUPAC2-bromobenzenesulfonyl chloride;ethane
SMILESCC.O=S(=O)(Cl)c1ccccc1Br
InChIInChI=1S/C6H4BrClO2S.C2H6/c7-5-3-1-2-4-6(5)11(8,9)10;1-2/h1-4H;1-2H3
InChIKeyLXNISYZOQCXJBC-UHFFFAOYSA-N
MW285.59 g/mol
LogP3.40
Rot. Bonds1

About 2-bromobenzenesulfonyl chloride;ethane

2-bromobenzenesulfonyl chloride;ethane (PubChem CID 145241155) has the molecular formula C8H10BrClO2S and a molecular weight of 285.59 g/mol. Its IUPAC name is 2-bromobenzenesulfonyl chloride;ethane.

Molecular Properties

Compound Name2-bromobenzenesulfonyl chloride;ethane
PubChem CID145241155
Molecular FormulaC8H10BrClO2S
Molecular Weight285.59 g/mol
Exact Mass283.93
IUPAC Name2-bromobenzenesulfonyl chloride;ethane
SMILESCC.O=S(=O)(Cl)c1ccccc1Br
InChIInChI=1S/C6H4BrClO2S.C2H6/c7-5-3-1-2-4-6(5)11(8,9)10;1-2/h1-4H;1-2H3
InChIKeyLXNISYZOQCXJBC-UHFFFAOYSA-N
XLogP3.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.59
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15155338
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Frequently Asked Questions

What is the IUPAC name of 2-bromobenzenesulfonyl chloride;ethane?
The IUPAC name of 2-bromobenzenesulfonyl chloride;ethane (CID 145241155) is 2-bromobenzenesulfonyl chloride;ethane.
What is the SMILES notation for 2-bromobenzenesulfonyl chloride;ethane?
The canonical SMILES for 2-bromobenzenesulfonyl chloride;ethane is CC.O=S(=O)(Cl)c1ccccc1Br.
What is the InChIKey of 2-bromobenzenesulfonyl chloride;ethane?
The InChIKey is LXNISYZOQCXJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClO2S.C2H6/c7-5-3-1-2-4-6(5)11(8,9)10;1-2/h1-4H;1-2H3.
What are the key properties of 2-bromobenzenesulfonyl chloride;ethane?
2-bromobenzenesulfonyl chloride;ethane has a molecular weight of 285.59 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromobenzenesulfonyl chloride;ethane is sourced from PubChem (CID 145241155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).