benzenesulfonyl chloride

C6H5ClO2S — CID 7369

IUPACbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1
InChIInChI=1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
InChIKeyCSKNSYBAZOQPLR-UHFFFAOYSA-N
MW176.62 g/mol
LogP1.61
Rot. Bonds1

About benzenesulfonyl chloride

benzenesulfonyl chloride (PubChem CID 7369) has the molecular formula C6H5ClO2S and a molecular weight of 176.62 g/mol. Its IUPAC name is benzenesulfonyl chloride.

Molecular Properties

Compound Namebenzenesulfonyl chloride
PubChem CID7369
Molecular FormulaC6H5ClO2S
Molecular Weight176.62 g/mol
Exact Mass175.97
IUPAC Namebenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1
InChIInChI=1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
InChIKeyCSKNSYBAZOQPLR-UHFFFAOYSA-N
XLogP1.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.62
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl chloride?
The IUPAC name of benzenesulfonyl chloride (CID 7369) is benzenesulfonyl chloride.
What is the SMILES notation for benzenesulfonyl chloride?
The canonical SMILES for benzenesulfonyl chloride is O=S(=O)(Cl)c1ccccc1.
What is the InChIKey of benzenesulfonyl chloride?
The InChIKey is CSKNSYBAZOQPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H.
What are the key properties of benzenesulfonyl chloride?
benzenesulfonyl chloride has a molecular weight of 176.62 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonyl chloride is sourced from PubChem (CID 7369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).