benzene;benzenesulfonyl chloride

C12H11ClO2S — CID 87647314

IUPACbenzene;benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1.c1ccccc1
InChIInChI=1S/C6H5ClO2S.C6H6/c7-10(8,9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5H;1-6H
InChIKeyDNAJNGAUOSCZGE-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.30
Rot. Bonds1

About benzene;benzenesulfonyl chloride

benzene;benzenesulfonyl chloride (PubChem CID 87647314) has the molecular formula C12H11ClO2S and a molecular weight of 254.74 g/mol. Its IUPAC name is benzene;benzenesulfonyl chloride.

Molecular Properties

Compound Namebenzene;benzenesulfonyl chloride
PubChem CID87647314
Molecular FormulaC12H11ClO2S
Molecular Weight254.74 g/mol
Exact Mass254.02
IUPAC Namebenzene;benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1.c1ccccc1
InChIInChI=1S/C6H5ClO2S.C6H6/c7-10(8,9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5H;1-6H
InChIKeyDNAJNGAUOSCZGE-UHFFFAOYSA-N
XLogP3.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;benzenesulfonyl chloride?
The IUPAC name of benzene;benzenesulfonyl chloride (CID 87647314) is benzene;benzenesulfonyl chloride.
What is the SMILES notation for benzene;benzenesulfonyl chloride?
The canonical SMILES for benzene;benzenesulfonyl chloride is O=S(=O)(Cl)c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;benzenesulfonyl chloride?
The InChIKey is DNAJNGAUOSCZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2S.C6H6/c7-10(8,9)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5H;1-6H.
What are the key properties of benzene;benzenesulfonyl chloride?
benzene;benzenesulfonyl chloride has a molecular weight of 254.74 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzenesulfonyl chloride is sourced from PubChem (CID 87647314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).